3-methylimidazo[1,2-a]pyridin-5-amine

• ChemBase ID: 64456
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n12c(ncc2C)cccc1N
• Canonical SMILES: Cc1cnc2n1c(N)ccc2
• InChI: InChI=1S/C8H9N3/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,9H2,1H3
• InChIKey: NXBRSDDSAAEVHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylimidazo[1,2-a]pyridin-5-amine
• IUPAC Traditional name: 3-methylimidazo[1,2-a]pyridin-5-amine
• Synonyms: 3-Methylimidazo[1,2-a]pyridin-5-amine; 5-Amino-3-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 74420-50-1
• MDL Number: MFCD10699209
• PubChem SID: 162030195
• PubChem CID: 12637727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.76767606
• LogD (pH = 7.4): 0.03605885
• Log P: 0.2194758
• Molar Refractivity: 45.0398 cm^3
• Polarizability: 16.185966 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 97%