CAS 64915-79-3 3-Methylpyridine-4-carbonyl chloride (HCID 13285864)

基本情報

CAS: 64915-79-3
標準SMILES: Cc1cnccc1C(=O)Cl
InChIKey: KSDVVNBPDOBZTI-UHFFFAOYSA-N
分子式: C7H6ClNO
平均分子量: 155.58 g/mol
単同位体質量: 155.0137915

名称と識別子

優先名称: 3-Methylpyridine-4-carbonyl chloride
IUPAC: 3-methylpyridine-4-carbonyl chloride
英語名: 4-Pyridinecarbonyl chloride, 3-methyl- (9CI)
分子式: C7H6ClNO
分子量: 155.58

名称と別名

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-2839123-Methylisonicotinoyl chloride

名称をさらに表示

5-methylpyridine-3-carbonyl chloride

データベース識別子

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

物性

構造計算による物性

XLogP: 1.7
極性表面積: 30 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 238.189 · 238.189±20.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.241 · 1.241±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
酸解離定数(Pka): 2.493 · 2.493±0.18(predicted)

化学と産業

応用分野 · 1 件

使用3-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.