(3-chloro-6-hydrazinylpyridin-2-yl)methanol

• ChemBase ID: 277401
• Molecular Formular: C6H8ClN3O
• Molecular Mass: 173.60022
• Monoisotopic Mass: 173.03558957
• SMILES: n1c(c(ccc1NN)Cl)CO
• Canonical SMILES: NNc1ccc(c(n1)CO)Cl
• InChI: InChI=1S/C6H8ClN3O/c7-4-1-2-6(10-8)9-5(4)3-11/h1-2,11H,3,8H2,(H,9,10)
• InChIKey: JBXRGLNMGLXTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-6-hydrazinylpyridin-2-yl)methanol
• IUPAC Traditional name: (3-chloro-6-hydrazinylpyridin-2-yl)methanol
• Synonyms: (3-chloro-6-hydrazinylpyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD17241249
• PubChem SID: 164333311
• PubChem CID: 54594629

CALCULATED PROPERTIES

• Acid pKa: 14.032665
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.07887676
• LogD (pH = 7.4): 0.6442949
• Log P: 0.65984035
• Molar Refractivity: 45.0198 cm^3
• Polarizability: 16.391037 Å^3
• Polar Surface Area: 71.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.996

Product Information

• Purity: 95%