2-Aminopyridine-4-carboxylic acid 分子结构式
HCID278396

2-Aminopyridine-4-carboxylic acid

C6H6N2O2138.12 g/molCAS 13362-28-2

IDENTITY

结构与身份

标准SMILES
Nc1cc(C(=O)O)ccn1
InChIKey
QMKZZQPPJRWDED-UHFFFAOYSA-N
分子式
C6H6N2O2
平均分子量
138.12 g/mol
单同位素质量
138.04292744

COMPUTED

结构计算性质

已同步
XLogP
0
极性表面积
76.2 Ų
氢键供体
2
氢键受体
4
可旋转键
1
重原子
10
形式电荷
0
复杂度
138

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (84.8%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (97.8%)

ALIASES

名称与别名

共 42 条
2-aminopyridine-4-carboxylic acidRefChem:465205681-100-72-aminoisonicotinic acid13362-28-22-Amino-4-Pyridinecarboxylic Acid2-Amino-isonicotinic acidMFCD00233714CHEMBL33228662-Amino isonicotinic acid2-Aminoisonicotinicacid4-PYRIDINECARBOXYLIC ACID, 2-AMINO-NSC127962SCHEMBL220538pyridine, 2-amino-4-carboxy-SCHEMBL6698056SCHEMBL11546896SCHEMBL307057412-Amino-4-PyridinecarboxylicAcidDTXSID40299072

REACTIONS

参与反应

18
HRID 150825 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 416652 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088928B2

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HRID 419911 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093401B2

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HRID 623574 反应方程式

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09302991B2

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HRID 623658 反应方程式

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09302991B2

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HRID 714277 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09187426B2

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HRID 1216873 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID 1259504 反应方程式

uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08466283B2

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