CAS 950857-36-0 5-Iodo-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid (HCID 58218046)

기본 정보

CAS: 950857-36-0
표준 SMILES: Cc1c(I)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIKey: FZFNPLQNLXPFTE-UHFFFAOYSA-N
분자식: C14H9F3INO3
평균 분자량: 423.12 g/mol

이름 및 식별자

우선 이름: 5-Iodo-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid
IUPAC: 5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
영어명: 3-?Pyridinecarboxylic acid, 1,?2-?dihydro-?5-?iodo-?6-?methyl-?2-?oxo-?1-?[3-?(trifluoromethyl)?phenyl]?-
분자식: C14H9F3INO3
분자량: 423.13

이름 및 동의어

950857-36-05-Iodo-6-methyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxylic acid5-Iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxylic acidRefChem:536371682-448-2MFCD263951315-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acidBase InformationAZD 9668 IntermediateSCHEMBL984085SY350468DB-296200

이름 더 보기

5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxylic acid Base Information

G66387F5686541,2-dihydro-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl] 3-Pyridine carboxylic acid5-Iodo-6-methyl-2-oxo-1-(3-trifluoromethyl-phenyl)-1,2-dihydro-pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 1,2-dihydro-5-iodo-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-

데이터베이스 식별자

CAS: 950857-36-0

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 568

물리화학적 성질

끓는 점: 417.3 · 417.3±45.0 °C(Predicted)
밀도: 1.9 · 1.90±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.87 · 1.87±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.