pyridine-4-carbonyl chloride

• ChemBase ID: 276716
• Molecular Formular: C6H4ClNO
• Molecular Mass: 141.55506
• Monoisotopic Mass: 140.99814143
• SMILES: C(=O)(c1ccncc1)Cl
• Canonical SMILES: ClC(=O)c1ccncc1
• InChI: InChI=1S/C6H4ClNO/c7-6(9)5-1-3-8-4-2-5/h1-4H
• InChIKey: RVQZKNOMKUSGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-4-carbonyl chloride
• IUPAC Traditional name: pyridine-4-carbonyl chloride
• Synonyms: pyridine-4-carbonyl chloride

Database IDs

• MDL Number: MFCD01874350
• PubChem SID: 164332626
• PubChem CID: 417436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.94607455
• LogD (pH = 7.4): 0.94648075
• Log P: 0.94648594
• Molar Refractivity: 35.0158 cm^3
• Polarizability: 13.2192745 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.069

Product Information

• Purity: 95%