5-chloro-2-methylpyridine

• ChemBase ID: 71355
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: c1(ccc(cn1)Cl)C
• Canonical SMILES: Cc1ccc(cn1)Cl
• InChI: InChI=1S/C6H6ClN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
• InChIKey: DEMKNLXJQNYAFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methylpyridine
• IUPAC Traditional name: 5-chloro-2-methylpyridine
• Synonyms: 5-Chloro-2-methylpyridine

Database IDs

• CAS Number: 72093-07-3
• MDL Number: MFCD04114188
• PubChem SID: 162036945
• PubChem CID: 2762869

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4798452
• LogD (pH = 7.4): 1.490846
• Log P: 1.4909883
• Molar Refractivity: 33.2974 cm^3
• Polarizability: 13.072543 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, IRRITANT-HARMFUL

Product Information

• Purity: 98%