N-[(5-methylpyridin-2-yl)methylidene]hydroxylamine

• ChemBase ID: 801311
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: n1c(ccc(c1)C)C=NO
• Canonical SMILES: ON=Cc1ccc(cn1)C
• InChI: InChI=1S/C7H8N2O/c1-6-2-3-7(5-9-10)8-4-6/h2-5,10H,1H3
• InChIKey: LSBIPUMDFGJKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyridin-2-yl)methylidene]hydroxylamine
• IUPAC Traditional name: N-[(5-methylpyridin-2-yl)methylidene]hydroxylamine
• Synonyms: 5-METHYLPYRIDINE-2-CARBALDEHYDE OXIME

CALCULATED PROPERTIES

• Acid pKa: 9.342092
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6580313
• LogD (pH = 7.4): 1.6552812
• Log P: 1.6655201
• Molar Refractivity: 38.9628 cm^3
• Polarizability: 14.447081 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%