3-phenylpyridine-2-carboxylic Acid 分子结构式
HCID2762789

3-phenylpyridine-2-carboxylic Acid

C12H9NO2199.2 g/molCAS 103863-15-6

IDENTITY

结构与身份

标准SMILES
O=C(O)c1ncccc1-c1ccccc1
InChIKey
SJLPJJGKJSOUOR-UHFFFAOYSA-N
分子式
C12H9NO2
平均分子量
199.2 g/mol
单同位素质量
199.06332853

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
50.2 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
15
形式电荷
0
复杂度
224

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 20 条
103863-15-63-Phenylpicolinic acid3-phenylpyridine-2-carboxylic Acid3-Phenyl-2-pyridinecarboxylic acidMFCD041141123-phenyl-pyridine-2-carboxylic acidphenylpicolinic acid3-Phenylpicolinicacid3-phenyl picolinic acidSCHEMBL287699DTXSID40376453SJLPJJGKJSOUOR-UHFFFAOYSA-NDEA86315SBB052969AKOS006280750SB52695AS-39481SY123300CS-0046989F065974

REACTIONS

参与反应

5
HRID 244005 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653263B2

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HRID 673037 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 1099195 反应方程式

uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143405B2

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HRID 1525065 反应方程式

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079911B2

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HRID 2424353 反应方程式

uspto-grants-2011_06 · 10.6084/m9.figshare.5104873.v1 · US07964594B1

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