2-chloro-3,5-dimethylpyridine

• ChemBase ID: 78428
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1c(c(cc(c1)C)C)Cl
• Canonical SMILES: Cc1cnc(c(c1)C)Cl
• InChI: InChI=1S/C7H8ClN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
• InChIKey: FGUVEKFEQISNDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,5-dimethylpyridine
• IUPAC Traditional name: 2-chloro-3,5-dimethylpyridine
• Synonyms: 2-Chloro-3,5-lutidine; 2-Chloro-3,5-dimethylpyridine

Database IDs

• CAS Number: 72093-12-0
• MDL Number: MFCD12400986
• PubChem SID: 162043195
• PubChem CID: 12508374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6064825
• LogD (pH = 7.4): 2.606636
• Log P: 2.606638
• Molar Refractivity: 39.8496 cm^3
• Polarizability: 14.881195 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon