2-chloro-6-hydrazinylpyridine-4-carbonitrile

• ChemBase ID: 245596
• Molecular Formular: C6H5ClN4
• Molecular Mass: 168.5837
• Monoisotopic Mass: 168.02027386
• SMILES: n1c(NN)cc(C#N)cc1Cl
• Canonical SMILES: NNc1nc(Cl)cc(c1)C#N
• InChI: InChI=1S/C6H5ClN4/c7-5-1-4(3-8)2-6(10-5)11-9/h1-2H,9H2,(H,10,11)
• InChIKey: PZDSDKASWBQINY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-hydrazinylpyridine-4-carbonitrile
• IUPAC Traditional name: 2-chloro-6-hydrazinylpyridine-4-carbonitrile
• Synonyms: 2-chloro-6-hydrazinylpyridine-4-carbonitrile

Database IDs

• MDL Number: MFCD10000008
• PubChem SID: 164301506
• PubChem CID: 13799476

CALCULATED PROPERTIES

• Acid pKa: 18.983782
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4176418
• LogD (pH = 7.4): 1.4219365
• Log P: 1.4219916
• Molar Refractivity: 45.509 cm^3
• Polarizability: 15.811083 Å^3
• Polar Surface Area: 74.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.236

Product Information

• Purity: 95%