2-(4-bromophenyl)imidazo[1,2-a]pyridin-6-amine

• ChemBase ID: 39939
• Molecular Formular: C13H10BrN3
• Molecular Mass: 288.1426
• Monoisotopic Mass: 287.00580934
• SMILES: n12c(nc(c1)c1ccc(cc1)Br)ccc(c2)N
• Canonical SMILES: Brc1ccc(cc1)c1cn2c(n1)ccc(c2)N
• InChI: InChI=1S/C13H10BrN3/c14-10-3-1-9(2-4-10)12-8-17-7-11(15)5-6-13(17)16-12/h1-8H,15H2
• InChIKey: NFWJVVNBLLWLFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)imidazo[1,2-a]pyridin-6-amine
• IUPAC Traditional name: 2-(4-bromophenyl)imidazo[1,2-a]pyridin-6-amine
• Synonyms: 2-(4-Bromophenyl)imidazo[1,2-a]pyridin-6-ylamine; 6-Amino-2-(4-bromophenyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 885950-52-7
• MDL Number: MFCD08276939
• PubChem SID: 161003246
• PubChem CID: 21796490

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6708577
• LogD (pH = 7.4): 2.6563165
• Log P: 2.7324517
• Molar Refractivity: 73.0238 cm^3
• Polarizability: 28.036446 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 195 °C; 191-195°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%