4-Chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine

HCID 1485990

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 204394-69-4
標準SMILES: FC(F)(F)c1cc(Cl)nc(-c2cccnc2)n1
InChIKey: JHVGKOOKRVOCKZ-UHFFFAOYSA-N
分子式: C10H5ClF3N3
平均分子量: 259.61 g/mol

名称と識別子

優先名称: 4-Chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine
IUPAC: 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine

名称と別名

4-chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine204394-69-44-chloro-2-(3-pyridyl)-6-(trifluoromethyl)pyrimidineMFCD001400574-chloro-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidineSCHEMBL5483622EIA39469AKOS0051001308E-340SDB-305537CS-0258950

名称をさらに表示

EN300-718734-chloro-2-(3-pyridinyl)-6-trifluoromethylpyrimidine4-chloro-2-(3-pyridinyl)-6-trifluoromethyl-pyrimidineZ1143225137

データベース識別子

CAS: 204394-69-4
PubChem CID: 1485990
EC Number: 183-779-0

物性

構造計算による物性

XLogP: 2.7
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 262

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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