3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylic acid

• ChemBase ID: 275852
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(nc(n2c1cccc2)C1CC1)C(=O)O
• Canonical SMILES: OC(=O)c1nc(n2c1cccc2)C1CC1
• InChI: InChI=1S/C11H10N2O2/c14-11(15)9-8-3-1-2-6-13(8)10(12-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,14,15)
• InChIKey: CMIRTSLVLKSHJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylic acid
• IUPAC Traditional name: 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylic acid
• Synonyms: 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylic acid

Database IDs

• MDL Number: MFCD10023809
• PubChem SID: 164331762
• PubChem CID: 28752039

CALCULATED PROPERTIES

• Acid pKa: 1.4453061
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.41806704
• LogD (pH = 7.4): -0.81854147
• Log P: -0.40883294
• Molar Refractivity: 55.0608 cm^3
• Polarizability: 21.020002 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.426

Product Information

• Purity: 95%