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

• ChemBase ID: 236052
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12n(ccc(c2)CN)ccn1
• Canonical SMILES: NCc1ccn2c(c1)ncc2
• InChI: InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2
• InChIKey: JOQDUOWWWPMEHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-7-ylmethanamine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-7-ylmethanamine
• Synonyms: imidazo[1,2-a]pyridin-7-ylmethanamine

Database IDs

• MDL Number: MFCD12827740
• PubChem SID: 164291962
• PubChem CID: 55289825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.674727
• LogD (pH = 7.4): -1.8609455
• Log P: -0.11468214
• Molar Refractivity: 44.4098 cm^3
• Polarizability: 16.651005 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.358

Product Information

• Purity: 95%