6-amino-4-chloropyridine-3-carbaldehyde

• ChemBase ID: 801288
• Molecular Formular: C6H5ClN2O
• Molecular Mass: 156.5697
• Monoisotopic Mass: 156.00904047
• SMILES: c1(c(cnc(c1)N)C=O)Cl
• Canonical SMILES: Nc1cc(Cl)c(cn1)C=O
• InChI: InChI=1S/C6H5ClN2O/c7-5-1-6(8)9-2-4(5)3-10/h1-3H,(H2,8,9)
• InChIKey: JKQLLGQTVGJLDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-4-chloropyridine-3-carbaldehyde
• IUPAC Traditional name: 6-amino-4-chloropyridine-3-carbaldehyde
• Synonyms: 6-AMINO-4-CHLORONICOTINALDEHYDE

Database IDs

• CAS Number: 1260664-16-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7787247
• LogD (pH = 7.4): 0.83685434
• Log P: 0.83765197
• Molar Refractivity: 40.3038 cm^3
• Polarizability: 14.418068 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%