4-amino-6-bromopyridine-2-carbaldehyde

• ChemBase ID: 815178
• Molecular Formular: C6H5BrN2O
• Molecular Mass: 201.0207
• Monoisotopic Mass: 199.95852479
• SMILES: c1(cc(nc(c1)C=O)Br)N
• Canonical SMILES: O=Cc1cc(N)cc(n1)Br
• InChI: InChI=1S/C6H5BrN2O/c7-6-2-4(8)1-5(3-10)9-6/h1-3H,(H2,8,9)
• InChIKey: OZADDYPNYCELHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-bromopyridine-2-carbaldehyde
• IUPAC Traditional name: 4-amino-6-bromopyridine-2-carbaldehyde
• Synonyms: 4-amino-6-bromopicolinaldehyde

Database IDs

• CAS Number: 1060809-66-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2802005
• LogD (pH = 7.4): 1.2878689
• Log P: 1.2879676
• Molar Refractivity: 43.2653 cm^3
• Polarizability: 15.487255 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%