2-bromo-6-fluoropyridin-3-amine

• ChemBase ID: 289276
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: Nc1ccc(F)nc1Br
• Canonical SMILES: Fc1ccc(c(n1)Br)N
• InChI: InChI=1S/C5H4BrFN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
• InChIKey: QFPSGSIVZKURDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-fluoropyridin-3-amine
• IUPAC Traditional name: 2-bromo-6-fluoropyridin-3-amine
• Synonyms: 2-Bromo-6-fluoropyridin-3-amine

Database IDs

• CAS Number: 1068976-51-1
• MDL Number: MFCD18262185
• PubChem SID: 180674807
• PubChem CID: 57364127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4375547
• LogD (pH = 7.4): 1.4375547
• Log P: 1.4375547
• Molar Refractivity: 38.2976 cm^3
• Polarizability: 13.414242 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%