N-[(2-methylpyridin-4-yl)methylidene]hydroxylamine

• ChemBase ID: 801315
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: c1(cc(ncc1)C)C=NO
• Canonical SMILES: ON=Cc1ccnc(c1)C
• InChI: InChI=1S/C7H8N2O/c1-6-4-7(5-9-10)2-3-8-6/h2-5,10H,1H3
• InChIKey: IHYNYQGPHGYBBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methylpyridin-4-yl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[(2-methylpyridin-4-yl)methylidene]hydroxylamine
• Synonyms: 2-METHYLISONICOTINALDEHYDE OXIME

CALCULATED PROPERTIES

• Acid pKa: 10.355181
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54615337
• LogD (pH = 7.4): 0.6075728
• Log P: 0.6089257
• Molar Refractivity: 38.8983 cm^3
• Polarizability: 14.443441 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%