imidazo[1,2-a]pyridin-7-amine

• ChemBase ID: 89864
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n12c(ncc1)cc(cc2)N
• Canonical SMILES: Nc1ccn2c(c1)ncc2
• InChI: InChI=1S/C7H7N3/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H,8H2
• InChIKey: IHFZRBQSSDQVOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-7-amine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-7-amine
• Synonyms: Imidazo[1,2-a]pyridin-7-amine; 7-Aminoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 421595-81-5
• MDL Number: MFCD11052644
• PubChem SID: 162076719
• PubChem CID: 45087541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8830847
• LogD (pH = 7.4): -0.12592809
• Log P: -0.06937653
• Molar Refractivity: 40.6368 cm^3
• Polarizability: 14.42165 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139-141°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon