6-bromo-2,3-dimethylimidazo[1,2-a]pyridin-8-amine

• ChemBase ID: 64502
• Molecular Formular: C9H10BrN3
• Molecular Mass: 240.0998
• Monoisotopic Mass: 239.00580934
• SMILES: c1c(cn2c(c1N)nc(c2C)C)Br
• Canonical SMILES: Brc1cc(N)c2n(c1)c(C)c(n2)C
• InChI: InChI=1S/C9H10BrN3/c1-5-6(2)13-4-7(10)3-8(11)9(13)12-5/h3-4H,11H2,1-2H3
• InChIKey: JNXOWVWCTOFBPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
• IUPAC Traditional name: 6-bromo-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
• Synonyms: 6-Bromo-2,3-dimethylimidazo[1,2-a]pyridin-8-ylamine

Database IDs

• CAS Number: 212268-15-0
• MDL Number: MFCD11109400
• PubChem SID: 162030241
• PubChem CID: 21717355

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32234785
• LogD (pH = 7.4): 0.79110134
• Log P: 1.0303075
• Molar Refractivity: 58.0008 cm^3
• Polarizability: 20.776346 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%