4-amino-6-chloropyridine-3-carbaldehyde

• ChemBase ID: 803906
• Molecular Formular: C6H5ClN2O
• Molecular Mass: 156.5697
• Monoisotopic Mass: 156.00904047
• SMILES: n1cc(c(cc1Cl)N)C=O
• Canonical SMILES: Nc1cc(Cl)ncc1C=O
• InChI: InChI=1S/C6H5ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-3H,(H2,8,9)
• InChIKey: CGMIFAMRODWNJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-chloropyridine-3-carbaldehyde
• IUPAC Traditional name: 4-amino-6-chloropyridine-3-carbaldehyde
• Synonyms: 4-AMINO-6-CHLORO-PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1010307
• LogD (pH = 7.4): 1.1132139
• Log P: 1.1133716
• Molar Refractivity: 41.0516 cm^3
• Polarizability: 14.460541 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%