2-amino-6-methylpyridine-3-carbaldehyde

• ChemBase ID: 811027
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: n1c(c(ccc1C)C=O)N
• Canonical SMILES: Cc1ccc(c(n1)N)C=O
• InChI: InChI=1S/C7H8N2O/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3,(H2,8,9)
• InChIKey: RPFQGCDZCNDOIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 2-amino-6-methylpyridine-3-carbaldehyde
• Synonyms: 2-AMINO-6-METHYL-PYRIDINE-3-CARBALDEHYDE

Database IDs

• CAS Number: 885276-99-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.0064667603
• LogD (pH = 7.4): 0.9604758
• Log P: 1.0149775
• Molar Refractivity: 40.0905 cm^3
• Polarizability: 14.235593 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%