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

• ChemBase ID: 235911
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: n12c(c(nc1cccc2)c1cnccc1)N
• Canonical SMILES: Nc1c(nc2n1cccc2)c1cccnc1
• InChI: InChI=1S/C12H10N4/c13-12-11(9-4-3-6-14-8-9)15-10-5-1-2-7-16(10)12/h1-8H,13H2
• InChIKey: YNBXOLRBDZPWDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14540234
• PubChem SID: 164291821
• PubChem CID: 63617576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39430115
• LogD (pH = 7.4): 0.7031386
• Log P: 0.83531773
• Molar Refractivity: 62.4974 cm^3
• Polarizability: 24.500454 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.778

Product Information

• Purity: 95%