1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

• ChemBase ID: 185643
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: n1c2c(n(c1)C)CCNC2.Cl.Cl
• Canonical SMILES: Cn1cnc2c1CCNC2.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-10-5-9-6-4-8-3-2-7(6)10;;/h5,8H,2-4H2,1H3;2*1H
• InChIKey: ZKVLOJXPCWMCBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• IUPAC Traditional name: 1-methyl-4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
• Synonyms: 1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD18785463
• PubChem SID: 164241553
• PubChem CID: 13150255

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8172364
• LogD (pH = 7.4): -1.271341
• Log P: -0.55053926
• Molar Refractivity: 39.9328 cm^3
• Polarizability: 15.141322 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.79

Product Information

• Purity: 95%
• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds