2-(dimethylamino)pyridine-4-carbohydrazide

• ChemBase ID: 272672
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: c1(cc(C(=O)NN)ccn1)N(C)C
• Canonical SMILES: NNC(=O)c1ccnc(c1)N(C)C
• InChI: InChI=1S/C8H12N4O/c1-12(2)7-5-6(3-4-10-7)8(13)11-9/h3-5H,9H2,1-2H3,(H,11,13)
• InChIKey: JGGZIHFGEMXEQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)pyridine-4-carbohydrazide
• IUPAC Traditional name: 2-(dimethylamino)pyridine-4-carbohydrazide
• Synonyms: 2-(dimethylamino)isonicotinohydrazide

Database IDs

• MDL Number: MFCD11645321
• PubChem SID: 164328582
• PubChem CID: 43348971

CALCULATED PROPERTIES

• Acid pKa: 13.754852
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.03531311
• LogD (pH = 7.4): 0.011605264
• Log P: 0.012239379
• Molar Refractivity: 52.2057 cm^3
• Polarizability: 18.530733 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.405

Product Information

• Purity: 95%