4-amino-6-chloropyridine-2-carbaldehyde

• ChemBase ID: 815177
• Molecular Formular: C6H5ClN2O
• Molecular Mass: 156.5697
• Monoisotopic Mass: 156.00904047
• SMILES: c1(cc(nc(c1)C=O)Cl)N
• Canonical SMILES: O=Cc1cc(N)cc(n1)Cl
• InChI: InChI=1S/C6H5ClN2O/c7-6-2-4(8)1-5(3-10)9-6/h1-3H,(H2,8,9)
• InChIKey: WULNKBTWIAYXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-chloropyridine-2-carbaldehyde
• IUPAC Traditional name: 4-amino-6-chloropyridine-2-carbaldehyde
• Synonyms: 4-amino-6-chloropicolinaldehyde

Database IDs

• CAS Number: 1060809-65-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1337522
• LogD (pH = 7.4): 1.1378621
• Log P: 1.1379148
• Molar Refractivity: 40.6664 cm^3
• Polarizability: 14.462908 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%