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

• ChemBase ID: 293483
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: Cl.Cl.Cc1nc2c(CNCC2)[nH]1
• Canonical SMILES: Cc1nc2c([nH]1)CNCC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-5-9-6-2-3-8-4-7(6)10-5;;/h8H,2-4H2,1H3,(H,9,10);2*1H
• InChIKey: YXZHZOPFKSZUCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 485402-39-9
• PubChem SID: 180679014
• PubChem CID: 45789992

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+%