5-bromo-6-fluoropyridin-2-amine

• ChemBase ID: 798888
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: n1c(ccc(c1F)Br)N
• Canonical SMILES: Nc1ccc(c(n1)F)Br
• InChI: InChI=1S/C5H4BrFN2/c6-3-1-2-4(8)9-5(3)7/h1-2H,(H2,8,9)
• InChIKey: SJXWFNBZBXZDCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-fluoropyridin-2-amine
• IUPAC Traditional name: 5-bromo-6-fluoropyridin-2-amine
• Synonyms: 5-bromo-6-fluoropyridin-2-amine

Database IDs

• CAS Number: 944401-65-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.82649
• LogD (pH = 7.4): 1.8264902
• Log P: 1.8264902
• Molar Refractivity: 37.7689 cm^3
• Polarizability: 13.370566 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%