6-Chloro-2-methoxy-4-methylpyridine-3-carboxylic acid

HCID 707652

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 663931-09-7
標準SMILES: COc1nc(Cl)cc(C)c1C(=O)O
InChIKey: VPIZYXHKFQXDQK-UHFFFAOYSA-N
分子式: C8H8ClNO3
平均分子量: 201.61 g/mol

名称と識別子

優先名称: 6-Chloro-2-methoxy-4-methylpyridine-3-carboxylic acid
IUPAC: 6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid

名称と別名

6-chloro-2-methoxy-4-methylpyridine-3-carboxylic acid663931-09-7RefChem:541537887-557-0MFCD037642286-chloro-2-methoxy-4-methyl-pyridine-3-carboxylic acidSCHEMBL2128678SCHEMBL31199000VPIZYXHKFQXDQK-UHFFFAOYSA-NSTK679693AKOS005596049AT52522

名称をさらに表示

6-chloro-2-methoxy-4-methylnicotinic acidDB-156106ST40767556-Chloro-2-methoxy-4-methyl-nicotinic AcidEN300-81663156-Chloro-2-methoxy-4-methyl-3-pyridinecarboxylic acid

データベース識別子

CAS: 663931-09-7
PubChem CID: 707652
EC Number: 887-557-0

物性

構造計算による物性

XLogP: 2
極性表面積: 59.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 200

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.