6-chloro-3-methylpyridine-2-carbonitrile

• ChemBase ID: 289322
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: N#Cc1nc(Cl)ccc1C
• Canonical SMILES: N#Cc1nc(Cl)ccc1C
• InChI: InChI=1S/C7H5ClN2/c1-5-2-3-7(8)10-6(5)4-9/h2-3H,1H3
• InChIKey: GRLXSZKHRDKVTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methylpyridine-2-carbonitrile
• IUPAC Traditional name: 6-chloro-3-methylpyridine-2-carbonitrile
• Synonyms: 6-Chloro-3-methylpicolinonitrile

Database IDs

• CAS Number: 1201924-31-3
• MDL Number: MFCD16658734
• PubChem SID: 180674853
• PubChem CID: 46856278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.335163
• LogD (pH = 7.4): 2.335163
• Log P: 2.335163
• Molar Refractivity: 40.158 cm^3
• Polarizability: 14.976736 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%