4-chloro-3-methylpyridine

• ChemBase ID: 288363
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: Cc1c(Cl)ccnc1
• Canonical SMILES: Cc1cnccc1Cl
• InChI: InChI=1S/C6H6ClN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
• InChIKey: DZNXMHJMXLSNIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-methylpyridine
• IUPAC Traditional name: 4-chloro-3-methylpyridine
• Synonyms: 4-Chloro-3-methylpyridine

Database IDs

• CAS Number: 1681-36-3
• PubChem SID: 180673894
• PubChem CID: 2757709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8368165
• LogD (pH = 7.4): 1.8725594
• Log P: 1.8730395
• Molar Refractivity: 33.7471 cm^3
• Polarizability: 13.063685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%