6-bromoimidazo[1,2-a]pyridin-8-amine

• ChemBase ID: 64894
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c1(cc(cn2c1ncc2)Br)N
• Canonical SMILES: Brc1cc(N)c2n(c1)ccn2
• InChI: InChI=1S/C7H6BrN3/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H,9H2
• InChIKey: NBHRWSCVWCCKDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyridin-8-amine
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyridin-8-amine
• Synonyms: 6-Bromo-1H-imidazo[1,2-a]pyridin-8-amine; 6-Bromoimidazo[1,2-a]pyridin-8-ylamine; 6-Bromoimidazo[1,2-a]pyridin-8-amine; 8-Amino-6-bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 676371-00-9
• MDL Number: MFCD08273920; MFCD13250043
• PubChem SID: 162030633
• PubChem CID: 17750394

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22381543
• LogD (pH = 7.4): 0.5914333
• Log P: 0.6993761
• Molar Refractivity: 48.2596 cm^3
• Polarizability: 17.2983 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/Light Sensitive/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%