5-amino-6-bromopyridine-3-carbonitrile

• ChemBase ID: 801936
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c1c(cnc(c1N)Br)C#N
• Canonical SMILES: N#Cc1cnc(c(c1)N)Br
• InChI: InChI=1S/C6H4BrN3/c7-6-5(9)1-4(2-8)3-10-6/h1,3H,9H2
• InChIKey: JXIXNBFPQYLNOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-bromopyridine-3-carbonitrile
• IUPAC Traditional name: 5-amino-6-bromopyridine-3-carbonitrile
• Synonyms: 5-AMINO-6-BROMONICOTINONITRILE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.75701827
• LogD (pH = 7.4): 0.75701827
• Log P: 0.75701827
• Molar Refractivity: 42.7881 cm^3
• Polarizability: 15.391476 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%