2-methoxypyridine-3-carbohydrazide

• ChemBase ID: 51764
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(C(=O)NN)c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(=O)NN
• InChI: InChI=1S/C7H9N3O2/c1-12-7-5(6(11)10-8)3-2-4-9-7/h2-4H,8H2,1H3,(H,10,11)
• InChIKey: PFNBRVFIIQPEAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridine-3-carbohydrazide
• IUPAC Traditional name: 2-methoxypyridine-3-carbohydrazide
• Synonyms: 2-Methoxynicotinohydrazide

Database IDs

• CAS Number: 89853-72-5
• MDL Number: MFCD11644032
• PubChem SID: 162056527
• PubChem CID: 43244771

CALCULATED PROPERTIES

• Acid pKa: 12.543799
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.2541259
• LogD (pH = 7.4): -0.25348675
• Log P: -0.25347576
• Molar Refractivity: 44.2403 cm^3
• Polarizability: 16.26374 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 140 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%