6-bromo-2-phenylpyridin-3-amine

• ChemBase ID: 87489
• Molecular Formular: C11H9BrN2
• Molecular Mass: 249.10656
• Monoisotopic Mass: 247.9949103
• SMILES: n1c(c(ccc1Br)N)c1ccccc1
• Canonical SMILES: Brc1ccc(c(n1)c1ccccc1)N
• InChI: InChI=1S/C11H9BrN2/c12-10-7-6-9(13)11(14-10)8-4-2-1-3-5-8/h1-7H,13H2
• InChIKey: FSEFNQUBOFFXKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-phenylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-phenylpyridin-3-amine
• Synonyms: 6-Bromo-2-phenylpyridin-3-amine; (3-Amino-6-bromopyridin-2-yl)benzene; 3-Amino-6-bromo-2-phenylpyridine

Database IDs

• CAS Number: 912772-85-1
• MDL Number: MFCD08235166
• PubChem SID: 162074532
• PubChem CID: 28875340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9339602
• LogD (pH = 7.4): 2.9339974
• Log P: 2.9339979
• Molar Refractivity: 61.8307 cm^3
• Polarizability: 24.236982 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant