2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 235909
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: c1(c(n2c(n1)cccc2)N)c1ncccc1
• Canonical SMILES: Nc1c(nc2n1cccc2)c1ccccn1
• InChI: InChI=1S/C12H10N4/c13-12-11(9-5-1-3-7-14-9)15-10-6-2-4-8-16(10)12/h1-8H,13H2
• InChIKey: BSHTXCZIGIGEDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD14540239
• PubChem SID: 164291819
• PubChem CID: 63618433

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1726528
• LogD (pH = 7.4): 1.2205201
• Log P: 1.221168
• Molar Refractivity: 62.1254 cm^3
• Polarizability: 24.505232 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.988

Product Information

• Purity: 95%