quinoline-2-carbohydrazide

• ChemBase ID: 233338
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: n1c(C(=O)NN)ccc2c1cccc2
• Canonical SMILES: NNC(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H9N3O/c11-13-10(14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H,11H2,(H,13,14)
• InChIKey: JTDPJYXDDYUJBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-2-carbohydrazide
• IUPAC Traditional name: quinoline-2-carbohydrazide
• Synonyms: quinoline-2-carbohydrazide

Database IDs

• CAS Number: 5382-44-5
• MDL Number: MFCD00614750
• PubChem SID: 164289248
• PubChem CID: 246466

CALCULATED PROPERTIES

• Acid pKa: 14.482176
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.070287
• LogD (pH = 7.4): 1.0709075
• Log P: 1.0709153
• Molar Refractivity: 53.1698 cm^3
• Polarizability: 21.214993 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.066

Product Information

• Purity: 95%