2-amino-5-bromopyridine-4-carbaldehyde

• ChemBase ID: 801125
• Molecular Formular: C6H5BrN2O
• Molecular Mass: 201.0207
• Monoisotopic Mass: 199.95852479
• SMILES: c1(cc(ncc1Br)N)C=O
• Canonical SMILES: O=Cc1cc(N)ncc1Br
• InChI: InChI=1S/C6H5BrN2O/c7-5-2-9-6(8)1-4(5)3-10/h1-3H,(H2,8,9)
• InChIKey: ROXOZQZSLLXFQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-bromopyridine-4-carbaldehyde
• IUPAC Traditional name: 2-amino-5-bromopyridine-4-carbaldehyde
• Synonyms: 2-AMINO-5-BROMOISONICOTINALDEHYDE

Database IDs

• CAS Number: 1227514-45-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9999519
• LogD (pH = 7.4): 1.0023296
• Log P: 1.00236
• Molar Refractivity: 43.1218 cm^3
• Polarizability: 15.44196 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%