6-amino-1,2-dihydropyridin-2-one

• ChemBase ID: 294473
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: O=c1[nH]c(ccc1)N
• Canonical SMILES: Nc1cccc(=O)[nH]1
• InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-5(8)7-4/h1-3H,(H3,6,7,8)
• InChIKey: DMIHQARPYPNHJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-amino-1H-pyridin-2-one
• Synonyms: 6-Aminopyridin-2-ol

Database IDs

• CAS Number: 5154-00-7
• MDL Number: MFCD00039717
• PubChem SID: 180680004
• PubChem CID: 101007

CALCULATED PROPERTIES

• Acid pKa: 11.060363
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5281253
• LogD (pH = 7.4): -0.485007
• Log P: -0.48433745
• Molar Refractivity: 40.9813 cm^3
• Polarizability: 11.088442 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%