4-aminopyridine-2-carbaldehyde

• ChemBase ID: 815176
• Molecular Formular: C6H6N2O
• Molecular Mass: 122.12464
• Monoisotopic Mass: 122.04801282
• SMILES: c1(ccnc(c1)C=O)N
• Canonical SMILES: Nc1cc(C=O)ncc1
• InChI: InChI=1S/C6H6N2O/c7-5-1-2-8-6(3-5)4-9/h1-4H,(H2,7,8)
• InChIKey: ZYUBKKLABNQIDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopyridine-2-carbaldehyde
• IUPAC Traditional name: 4-aminopyridine-2-carbaldehyde
• Synonyms: 4-aminopicolinaldehyde

Database IDs

• CAS Number: 1060809-62-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9905122
• LogD (pH = 7.4): 0.06166506
• Log P: 0.3136929
• Molar Refractivity: 34.8003 cm^3
• Polarizability: 12.47437 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%