6-methoxypyridine-2-carbohydrazide

• ChemBase ID: 21442
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1c(nc(cc1)C(=O)NN)OC
• Canonical SMILES: NNC(=O)c1cccc(n1)OC
• InChI: InChI=1S/C7H9N3O2/c1-12-6-4-2-3-5(9-6)7(11)10-8/h2-4H,8H2,1H3,(H,10,11)
• InChIKey: GMZSCQXNOIDMCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-2-carbohydrazide
• IUPAC Traditional name: 6-methoxypyridine-2-carbohydrazide
• Synonyms: 6-Methoxy-pyridine-2-carboxylic acid hydrazide; 6-Methoxy-pyridine-2-carboxylic acid hydrazide

Database IDs

• CAS Number: 855784-42-8
• MDL Number: MFCD08235125
• PubChem SID: 160984749
• PubChem CID: 24229172

CALCULATED PROPERTIES

• Acid pKa: 13.785492
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.13178746
• LogD (pH = 7.4): 0.13236701
• Log P: 0.13237458
• Molar Refractivity: 43.8683 cm^3
• Polarizability: 16.266764 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-156°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C7H9N3O2

DETAILS

Sigma Aldrich - ADE000352

Other Notes
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