2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-

HCID 109082

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61433-54-3
표준 SMILES: CCn1c(C)c(C(=O)c2cccnc2C(=O)O)c2ccccc21
InChIKey: ZVCFSCXUODRMKI-UHFFFAOYSA-N
분자식: C18H16N2O3
평균 분자량: 308.3 g/mol
단동위원소 질량: 308.11609237

이름 및 식별자

우선 이름: 2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
IUPAC: 3-(1-ethyl-2-methylindole-3-carbonyl)pyridine-2-carboxylic acid
영어명: 3-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-2-pyridinecarboxylic acid
분자식: C18H16N2O3
분자량: 308.33

이름 및 동의어

2-Pyridinecarboxylic acid, 3-((1-ethyl-2-methyl-1H-indol-3-yl)carbonyl)-DTXSID50694692-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-RefChem:483375DTXCID704303961433-54-3SCHEMBL109013583-(1-ethyl-2-methyl-1H-indole-3-carbonyl)pyridine-2-carboxylic acidDB-3149283-[(1-ethyl-2-methyl-3-indolyl)carbonyl]-2-pyridinecarboxylic acid3-[(1-Ethyl-2-methyl-1h-indol-3-yl)carbonyl ]-2-pyridinecarboxylic acid3-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-2-pyridinecarboxylic acid

데이터베이스 식별자

CAS: 61433-54-3
PubChem CID: 109082
DTXSID: DTXSID5069469
Nikkaji: J429.425D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 72.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 467

물리화학적 성질

끓는 점: 551.8 · 551.8±50.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.84 · 2.84±0.36(Predicted)
EPA: 2 · 2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]- (61433-54-3)