2-플루오로-4-메틸피리딘-5-카르복실산

6-Fluoro-4-methylpyridine-3-carboxylic acid

HCID 46739274

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 944582-95-0
표준 SMILES: Cc1cc(F)ncc1C(=O)O
InChIKey: KFWMUBBPUAWTPO-UHFFFAOYSA-N
분자식: C7H6FNO2
평균 분자량: 155.13 g/mol
단동위원소 질량: 155.03825665

이름 및 식별자

우선 이름: 6-Fluoro-4-methylpyridine-3-carboxylic acid
IUPAC: 6-fluoro-4-methylpyridine-3-carboxylic acid
현지명: 2-플루오로-4-메틸피리딘-5-카르복실산
영어명: 2-Fluoro-4-methylpyridine-5-carboxylic acid
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

944582-95-06-Fluoro-4-methylpyridine-3-carboxylic acidDTXSID90674895RefChem:543202DTXCID30625644690-479-86-Fluoro-4-methylnicotinic acid2-FLUORO-4-METHYLPYRIDINE-5-CARBOXYLIc acid3-Pyridinecarboxylicacid, 6-fluoro-4-methyl-MFCD092604526-Fluoro-4-methyl-pyridine-3-carboxylic acid6-Fluoro-4-methylnicotinicacid

이름 더 보기

2-플루오로-4-메틸피리딘-5-카르복실산6-fluoro-4-methylpicolinic acid6-Fluoro-4-methylnicotinicaci3-Pyridinecarboxylic acid, 6-fluoro-4-methyl-6-Fluoro-4-methylpyridine-3-carboxylic acid, 5-Carboxy-2-fluoro-4-methylpyridine6-Fluoro-4-methylpyridine-3-carboxylic acid, 3-Carboxy-6-fluoro-4-methylpyridine

SCHEMBL1390714CHEMBL5278984SCHEMBL30962313KFWMUBBPUAWTPO-UHFFFAOYSA-NAKOS006331793AB49982CS-W007072PS-6379

데이터베이스 식별자

CAS: 944582-95-0
PubChem CID: 46739274
DTXSID: DTXSID90674895
ChEMBL: CHEMBL5278984
EC Number: 690-479-8

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 320.8 · 320.8±37.0 °C(Predicted)
밀도: 1.341 · 1.341±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.03 · 3.03±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.