(E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine

• ChemBase ID: 32516
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: c1(c(nc(cc1)/C=N/O)OC)OC
• Canonical SMILES: O/N=C/c1ccc(c(n1)OC)OC
• InChI: InChI=1S/C8H10N2O3/c1-12-7-4-3-6(5-9-11)10-8(7)13-2/h3-5,11H,1-2H3/b9-5+
• InChIKey: FGIMNFLPYRRIJH-WEVVVXLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine; N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine; N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
• Synonyms: 5,6-Dimethoxypicolinaldehyde oxime; 5,6-Dimethoxypicolinaldehyde oxime

Database IDs

• CAS Number: 1138443-95-4
• MDL Number: MFCD11857662
• PubChem SID: 160995823
• PubChem CID: 46736761

CALCULATED PROPERTIES

• Acid pKa: 8.786009
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4309614
• LogD (pH = 7.4): 1.4137712
• Log P: 1.4312136
• Molar Refractivity: 47.1615 cm^3
• Polarizability: 17.778418 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H10N2O3

DETAILS

Sigma Aldrich - ADE000525

Other Notes
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Legal Information
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