2-{6-bromoimidazo[1,2-a]pyridin-2-yl}ethan-1-amine

• ChemBase ID: 114711
• Molecular Formular: C9H10BrN3
• Molecular Mass: 240.0998
• Monoisotopic Mass: 239.00580934
• SMILES: n12c(nc(c1)CCN)ccc(c2)Br
• Canonical SMILES: NCCc1cn2c(n1)ccc(c2)Br
• InChI: InChI=1S/C9H10BrN3/c10-7-1-2-9-12-8(3-4-11)6-13(9)5-7/h1-2,5-6H,3-4,11H2
• InChIKey: HBOBAWMJIHVRRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{6-bromoimidazo[1,2-a]pyridin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{6-bromoimidazo[1,2-a]pyridin-2-yl}ethanamine
• Synonyms: [2-(6-Bromoimidazo[1,2-a]pyridin-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD09863913
• PubChem SID: 162100306
• PubChem CID: 24255227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5088263
• LogD (pH = 7.4): -1.156922
• Log P: 0.9725551
• Molar Refractivity: 56.2098 cm^3
• Polarizability: 21.205992 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.935

Product Information

• Purity: 95+%