6-[(2E)-2-(hydroxyimino)ethyl]pyridin-2-amine

• ChemBase ID: 56245
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: N(=C\Cc1nc(ccc1)N)/O
• Canonical SMILES: Nc1cccc(n1)C/C=N/O
• InChI: InChI=1S/C7H9N3O/c8-7-3-1-2-6(10-7)4-5-9-11/h1-3,5,11H,4H2,(H2,8,10)/b9-5+
• InChIKey: HWGIAWUEOPPQSC-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(2E)-2-(hydroxyimino)ethyl]pyridin-2-amine
• IUPAC Traditional name: 6-[(2E)-2-(hydroxyimino)ethyl]pyridin-2-amine
• Synonyms: (1E)-(6-Aminopyridin-2-yl)acetaldehyde oxime

Database IDs

• CAS Number: 933624-28-3
• MDL Number: MFCD09837447
• PubChem SID: 162061008
• PubChem CID: 43831492

CALCULATED PROPERTIES

• Acid pKa: 9.497761
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.32608417
• LogD (pH = 7.4): 0.36482266
• Log P: 0.39556712
• Molar Refractivity: 42.7469 cm^3
• Polarizability: 15.678857 Å^3
• Polar Surface Area: 71.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false