3-chloro-5-methylpyridine

• ChemBase ID: 288358
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: Cc1cncc(Cl)c1
• Canonical SMILES: Cc1cncc(c1)Cl
• InChI: InChI=1S/C6H6ClN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3
• InChIKey: MOFLUZIBHAWPFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methylpyridine
• IUPAC Traditional name: 3-chloro-5-methylpyridine
• Synonyms: 3-Chloro-5-methylpyridine

Database IDs

• CAS Number: 19230-55-8
• MDL Number: MFCD04114217
• PubChem SID: 180673889
• PubChem CID: 2762899

CALCULATED PROPERTIES

• Log P: 1.8730395
• Molar Refractivity: 33.7471 cm^3
• Polarizability: 13.076628 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8653483
• LogD (pH = 7.4): 1.8729416

PROPERTIES

Product Information

• Purity: 95+%; 98%