7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile

• ChemBase ID: 75799
• Molecular Formular: C9H7N3O
• Molecular Mass: 173.17138
• Monoisotopic Mass: 173.05891186
• SMILES: n12ccnc1c(c(OC)cc2)C#N
• Canonical SMILES: N#Cc1c(OC)ccn2c1ncc2
• InChI: InChI=1S/C9H7N3O/c1-13-8-2-4-12-5-3-11-9(12)7(8)6-10/h2-5H,1H3
• InChIKey: LILFJNZTHRZHSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile
• IUPAC Traditional name: 7-methoxyimidazo[1,2-a]pyridine-8-carbonitrile
• Synonyms: 8-Cyano-7-methoxyimidazo[1,2-a]pyridine; 7-Methoxyimidazo[1,2-a]pyridine-8-carbonitrile

Database IDs

• CAS Number: 834869-04-4
• MDL Number: MFCD09801017
• PubChem SID: 162040717
• PubChem CID: 26370197

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41851512
• LogD (pH = 7.4): 0.4574501
• Log P: 0.45797434
• Molar Refractivity: 48.1212 cm^3
• Polarizability: 17.652636 Å^3
• Polar Surface Area: 50.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215-218°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%