2-propylpyridine-4-carbonitrile

• ChemBase ID: 309380
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: N#Cc1cc(ncc1)CCC
• Canonical SMILES: CCCc1cc(ccn1)C#N
• InChI: InChI=1S/C9H10N2/c1-2-3-9-6-8(7-10)4-5-11-9/h4-6H,2-3H2,1H3
• InChIKey: BYKWSKWKQONOOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpyridine-4-carbonitrile
• IUPAC Traditional name: 2-propylpyridine-4-carbonitrile
• Synonyms: 2-propylisonicotinonitrile

Database IDs

• CAS Number: 33744-19-3
• MDL Number: MFCD09834373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8881133
• LogD (pH = 7.4): 1.8881439
• Log P: 1.8881443
• Molar Refractivity: 43.4421 cm^3
• Polarizability: 16.71085 Å^3
• Polar Surface Area: 36.68 Å^2