6-bromoimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 87507
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: n12cc(ccc1ncc2N)Br
• Canonical SMILES: Brc1ccc2n(c1)c(N)cn2
• InChI: InChI=1S/C7H6BrN3/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-4H,9H2
• InChIKey: PGSBYVUIXGOCGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyridin-3-amine
• Synonyms: 6-Bromoimidazo[1,2-a]pyridin-3-amine; 3-Amino-6-bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 705262-55-1
• MDL Number: MFCD09864901
• PubChem SID: 162074547
• PubChem CID: 28875375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2662494
• LogD (pH = 7.4): 0.28419328
• Log P: 0.7886671
• Molar Refractivity: 47.5129 cm^3
• Polarizability: 17.293055 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145-147°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon