4-chloropyridine

• ChemBase ID: 180436
• Molecular Formular: C5H4ClN
• Molecular Mass: 113.54496
• Monoisotopic Mass: 113.00322681
• SMILES: c1cc(ccn1)Cl
• Canonical SMILES: Clc1ccncc1
• InChI: InChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H
• InChIKey: PVMNPAUTCMBOMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridine
• IUPAC Traditional name: 4-chloropyridine
• Synonyms: 4-Chloropyridine

Database IDs

• CAS Number: 626-61-9
• PubChem SID: 164236346
• PubChem CID: 12288

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3480719
• LogD (pH = 7.4): 1.3594704
• Log P: 1.3596181
• Molar Refractivity: 28.7059 cm^3
• Polarizability: 11.303121 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true