6-aminopyridine-2-carbaldehyde

• ChemBase ID: 288612
• Molecular Formular: C6H6N2O
• Molecular Mass: 122.12464
• Monoisotopic Mass: 122.04801282
• SMILES: Nc1nc(C=O)ccc1
• Canonical SMILES: O=Cc1cccc(n1)N
• InChI: InChI=1S/C6H6N2O/c7-6-3-1-2-5(4-9)8-6/h1-4H,(H2,7,8)
• InChIKey: PXYOOBSFOBZSBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-2-carbaldehyde
• IUPAC Traditional name: 6-aminopyridine-2-carbaldehyde
• Synonyms: 2-Amino-6-pyridinecarboxaldehyde

Database IDs

• CAS Number: 332884-35-2
• PubChem SID: 180674143
• PubChem CID: 23131418

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7141834
• LogD (pH = 7.4): 0.9050638
• Log P: 0.90815043
• Molar Refractivity: 35.1138 cm^3
• Polarizability: 12.478428 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%