2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 287610
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: Cc1nc2c(CNCC2)[nH]1
• Canonical SMILES: Cc1nc2c([nH]1)CNCC2
• InChI: InChI=1S/C7H11N3/c1-5-9-6-2-3-8-4-7(6)10-5/h8H,2-4H2,1H3,(H,9,10)
• InChIKey: CVDDYBUFDUAOJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

Database IDs

• CAS Number: 774178-09-5
• PubChem SID: 180673141
• PubChem CID: 12037655

CALCULATED PROPERTIES

• Acid pKa: 14.273276
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6066911
• LogD (pH = 7.4): -1.5100014
• Log P: -0.4740976
• Molar Refractivity: 39.3108 cm^3
• Polarizability: 15.1462965 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%