6-methylimidazo[1,2-a]pyridine-3-carbonitrile

• ChemBase ID: 241554
• Molecular Formular: C9H7N3
• Molecular Mass: 157.17198
• Monoisotopic Mass: 157.06399724
• SMILES: n12c(ncc1C#N)ccc(c2)C
• Canonical SMILES: N#Cc1cnc2n1cc(C)cc2
• InChI: InChI=1S/C9H7N3/c1-7-2-3-9-11-5-8(4-10)12(9)6-7/h2-3,5-6H,1H3
• InChIKey: AQTVMUSIWJOFNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylimidazo[1,2-a]pyridine-3-carbonitrile
• IUPAC Traditional name: 6-methylimidazo[1,2-a]pyridine-3-carbonitrile
• Synonyms: 6-methylimidazo[1,2-a]pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD22421899
• PubChem SID: 164297464
• PubChem CID: 71695362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0137354
• LogD (pH = 7.4): 1.0486014
• Log P: 1.0490681
• Molar Refractivity: 46.5767 cm^3
• Polarizability: 16.882408 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126 - 128°C
• Hydrophobicity(logP): 1.475

Product Information

• Purity: 95%