5-bromo-4-fluoropyridin-2-amine

• ChemBase ID: 292570
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: Nc1ncc(Br)c(F)c1
• Canonical SMILES: Nc1ncc(c(c1)F)Br
• InChI: InChI=1S/C5H4BrFN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
• InChIKey: GGHBRLQYBZMEPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-fluoropyridin-2-amine
• IUPAC Traditional name: 5-bromo-4-fluoropyridin-2-amine
• Synonyms: 5-Bromo-4-fluoropyridin-2-amine

Database IDs

• CAS Number: 944401-69-8
• PubChem SID: 180678101
• PubChem CID: 57917407

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3736763
• LogD (pH = 7.4): 1.4317626
• Log P: 1.4325595
• Molar Refractivity: 36.7542 cm^3
• Polarizability: 13.369193 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%