1-(hydrazinecarbonyl)-N-(pyridin-2-yl)formamide

• ChemBase ID: 237712
• Molecular Formular: C7H8N4O2
• Molecular Mass: 180.16402
• Monoisotopic Mass: 180.06472552
• SMILES: C(=O)(C(=O)Nc1ncccc1)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccccn1
• InChI: InChI=1S/C7H8N4O2/c8-11-7(13)6(12)10-5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)(H,9,10,12)
• InChIKey: JMCVJNPXUVYEFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-(pyridin-2-yl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-(pyridin-2-yl)formamide
• Synonyms: 1-(hydrazinecarbonyl)-N-(pyridin-2-yl)formamide

Database IDs

• MDL Number: MFCD00966536
• PubChem SID: 164293622
• PubChem CID: 1713168

CALCULATED PROPERTIES

• Acid pKa: 9.330664
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.56599593
• LogD (pH = 7.4): -0.5607108
• Log P: -0.5560829
• Molar Refractivity: 47.1788 cm^3
• Polarizability: 17.024233 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -2.954

Product Information

• Purity: 95%