4-amino-6-bromopyridine-3-carbaldehyde

• ChemBase ID: 815179
• Molecular Formular: C6H5BrN2O
• Molecular Mass: 201.0207
• Monoisotopic Mass: 199.95852479
• SMILES: c1(c(cnc(c1)Br)C=O)N
• Canonical SMILES: Nc1cc(Br)ncc1C=O
• InChI: InChI=1S/C6H5BrN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-3H,(H2,8,9)
• InChIKey: DRJIKOFVEUVPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-bromopyridine-3-carbaldehyde
• IUPAC Traditional name: 4-amino-6-bromopyridine-3-carbaldehyde
• Synonyms: 4-amino-6-bromonicotinaldehyde

Database IDs

• CAS Number: 1060809-69-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2406782
• LogD (pH = 7.4): 1.26313
• Log P: 1.2634244
• Molar Refractivity: 43.6505 cm^3
• Polarizability: 15.483585 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%