quinoline-6-carbonyl chloride hydrochloride

• ChemBase ID: 276271
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: C(=O)(c1cc2c(nccc2)cc1)Cl.Cl
• Canonical SMILES: ClC(=O)c1ccc2c(c1)cccn2.Cl
• InChI: InChI=1S/C10H6ClNO.ClH/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-9;/h1-6H;1H
• InChIKey: QXRUURIWNYPMGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-6-carbonyl chloride hydrochloride
• IUPAC Traditional name: quinoline-6-carbonyl chloride hydrochloride
• Synonyms: quinoline-6-carbonyl chloride hydrochloride

Database IDs

• MDL Number: MFCD11501925
• PubChem SID: 164332181
• PubChem CID: 22136358

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3110206
• LogD (pH = 7.4): 2.3216753
• Log P: 2.321813
• Molar Refractivity: 51.094 cm^3
• Polarizability: 20.682928 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.453

Product Information

• Purity: 95%