4-피리딘카르보닐클로라이드,3-메틸-(9CI)

3-Methylpyridine-4-carbonyl chloride

HCID 13285864

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64915-79-3
표준 SMILES: Cc1cnccc1C(=O)Cl
InChIKey: KSDVVNBPDOBZTI-UHFFFAOYSA-N
분자식: C7H6ClNO
평균 분자량: 155.58 g/mol
단동위원소 질량: 155.0137915

이름 및 식별자

우선 이름: 3-Methylpyridine-4-carbonyl chloride
IUPAC: 3-methylpyridine-4-carbonyl chloride
현지명: 4-피리딘카르보닐클로라이드,3-메틸-(9CI)
영어명: 4-Pyridinecarbonyl chloride, 3-methyl- (9CI)
분자식: C7H6ClNO
분자량: 155.58

이름 및 동의어

64915-79-33-Methylpyridine-4-carbonyl chloride3-METHYL-4-PYRIDINECARBONYL CHLORIDE4-Pyridinecarbonyl chloride, 3-methyl-4-Pyridinecarbonyl chloride, 3-methyl- (9CI)3-methyl-isonicotinoyl chlorideSCHEMBL1967163DTXSID305347673-methylisonicotinic acid chlorideKSDVVNBPDOBZTI-UHFFFAOYSA-NDB-2839124-피리딘카르보닐클로라이드,3-메틸-(9CI)

이름 더 보기

3-Methylisonicotinoyl chloride5-methylpyridine-3-carbonyl chloride

데이터베이스 식별자

CAS: 64915-79-3
PubChem CID: 13285864
DTXSID: DTXSID30534767

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 238.189 · 238.189±20.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.241 · 1.241±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 2.493 · 2.493±0.18(predicted)

화학 및 산업

응용 분야 · 1건

용도3-Methyl-4-pyridinecarbonyl chloride is used as a reagent to synthesize azaindenoisoquinoline compounds, which have anticancer properties through the inhibition of topoisomerase I. 3-Methyl-4-pyridinecarbonyl chloride is also used as a reagent to prepare (1,2,4)Triazolo[4,3-a]quinoxaline derivatives, compounds that have phosphodiesterase inhibition properties in order to treat patients with CNS disorders.