基本描述

别名	4-吡啶甲酸 \| 吡啶-4-羧酸 \| 吡啶-4-甲酸
英文别名	.gamma.-Picolinic acid \| CAS-55-22-1 \| ISONICOTINIC ACID
规格或纯度	AR, Moligand™, ≥99%
英文名称	Isonicotinic acid (IN)
储存温度	避光
运输条件	常规运输
产品介绍	本品为医药中间体，主要用于制备异烟肼（雷米封）。也可以用它制异烟酰腙、酯类等衍生药物，农药工业也可以制抗倒胺等。 Application Isonicotinic acid (IN) can be used as: An organocatalyst in the one pot four component condensation reaction, to synthesize pyranopyrazoles based heterocyclic compounds. An organic ligand for the preparation of copper(I) halide coordination polymer CuBr(IN)n, by hydrothermal method. As a starting material for the synthesis of cation-dimers with potent antimalarial activity.It acts as an useful isomer of nicotinic acid.

关联靶点（人）

NAPRT Tchem 烟酸磷酸核糖基转移酶(Nicotinate phosphoribosyltransferase) (2 活性数据)

点击查看靶蛋白信息： NAPRT

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

关联靶点（其它种属）

Mycobacterium tuberculosis (203094 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis variant bovis (1746 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488179961
EC号	200-228-2
分子类型	小分子
IUPAC Name	pyridine-4-carboxylic acid
INCHI	InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChi Key	TWBYWOBDOCUKOW-UHFFFAOYSA-N
Canonical SMILES	C1=CN=CC=C1C(=O)O
Isomeric SMILES	C1=CN=CC=C1C(=O)O
WGK Germany	2
RTECS	NS1103000
PubChem CID	5922
分子量	123.11
Beilstein号	109599

化学和物理性质

溶解性	Soluble in water (6 mg/ml), and 2 N NH4OH (5%). Insoluble in ether, benzene, and boiling alcohol.
密度	1.354
敏感性	对光敏感
沸点	260°/15mm
熔点	316°C
分子量	123.110 g/mol
XLogP3	0.400
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	123.032 Da
单同位素质量Monoisotopic Mass	123.032 Da
拓扑极表面积Topological Polar Surface Area	50.200 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	108.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	Warning
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	2
RTECS	NS1103000
Merck Index	5187
个人防护装备	dust mask type N95 (US),Eyeshields,Gloves

SDS英文版

质量标准

Purity (Titration by NaOH)	98.5-101.5（%）
Purity(HPLC)	99-100（%）
Appearance（I101094)	White to Off-White Powder
Infrared spectrum	Conforms to Structure
Proton NMR spectrum	Conforms to Structure
Solubility in 2N NH4OH,5%	Colorless to Yellow,Clear to Slightly Hazy

质量标准

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批号(Lot Number)	证书类型	日期	货号
E2508249	分析证书	25-01-08	I101094
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A2517189	分析证书	25-01-08	I101094
A2517190	分析证书	25-01-08	I101094
B2508469	分析证书	25-01-08	I101094
B2508475	分析证书	25-01-08	I101094
L2411579	分析证书	24-10-29	I101094
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L2411593	分析证书	24-10-29	I101094
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L2411595	分析证书	24-10-29	I101094
A2211531	分析证书	24-10-24	I101094
A2211776	分析证书	24-10-24	I101094
K2422414	分析证书	24-07-17	I101094
J2415156	分析证书	24-04-11	I101094
D2428296	分析证书	24-04-11	I101094
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D2428295	分析证书	24-04-11	I101094
D2428297	分析证书	24-04-11	I101094
D2428298	分析证书	24-04-11	I101094
D2428302	分析证书	24-04-11	I101094
D2422236	分析证书	24-03-27	I101094
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D2422238	分析证书	24-03-27	I101094
C2413148	分析证书	24-03-04	I101094
C2413150	分析证书	24-03-04	I101094
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C2413151	分析证书	24-03-04	I101094
F1814058	分析证书	24-01-17	I101094
H2301786	分析证书	23-07-06	I101094
H2301805	分析证书	23-07-06	I101094
H2301816	分析证书	23-07-06	I101094
H2301823	分析证书	23-07-06	I101094
A2410065	分析证书	23-07-06	I101094
L2217054	分析证书	22-12-05	I101094
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L2217083	分析证书	22-12-05	I101094
L2217088	分析证书	22-12-05	I101094
L2217089	分析证书	22-12-05	I101094
L2217090	分析证书	22-12-05	I101094
L2217091	分析证书	22-12-05	I101094
B2307632	分析证书	22-12-05	I101094
B2307641	分析证书	22-12-05	I101094
B2307714	分析证书	22-12-05	I101094
B2307721	分析证书	22-12-05	I101094
B2307722	分析证书	22-12-05	I101094
B2307723	分析证书	22-12-05	I101094
B2307724	分析证书	22-12-05	I101094
B2307726	分析证书	22-12-05	I101094
E2330097	分析证书	21-12-24	I101094

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溶液计算器

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