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

• ChemBase ID: 267552
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c2c(n(c1)C)CCNC2
• Canonical SMILES: Cn1cnc2c1CCNC2
• InChI: InChI=1S/C7H11N3/c1-10-5-9-6-4-8-3-2-7(6)10/h5,8H,2-4H2,1H3
• InChIKey: MSSJBRXYLYSRLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01081938
• PubChem SID: 164323462
• PubChem CID: 929096

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%