5-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid

HCID 16227845

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 926247-69-0
표준 SMILES: Cc1c(C(=O)O)cnn1-c1ccc(C(F)(F)F)cn1
InChIKey: QWUOVGDXFAZAAB-UHFFFAOYSA-N
분자식: C11H8F3N3O2
평균 분자량: 271.19 g/mol

이름 및 식별자

우선 이름: 5-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
IUPAC: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid

이름 및 동의어

5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid926247-69-05-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acidRefChem:536850827-666-2MFCD090405335-METHYL-1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PYRAZOLE-4-CARBOXYLIC ACIDSCHEMBL15167512AKOS000127165CS-0244071EN300-27168G36989

이름 더 보기

Z2353453595-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylicacid

데이터베이스 식별자

CAS: 926247-69-0
PubChem CID: 16227845
EC Number: 827-666-2

물성

구조 계산 물성

XLogP: 2
극성 표면적: 68 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 351

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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.