3-(hydrazinylmethyl)pyridine

• ChemBase ID: 265021
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1cc(CNN)ccc1
• Canonical SMILES: NNCc1cccnc1
• InChI: InChI=1S/C6H9N3/c7-9-5-6-2-1-3-8-4-6/h1-4,9H,5,7H2
• InChIKey: NBJJWHRYXPBBPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hydrazinylmethyl)pyridine
• IUPAC Traditional name: 3-(hydrazinylmethyl)pyridine
• Synonyms: 3-(hydrazinylmethyl)pyridine

Database IDs

• MDL Number: MFCD07786307
• PubChem SID: 164320931
• PubChem CID: 12232495

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.46051294
• LogD (pH = 7.4): -0.30569157
• Log P: -0.30331358
• Molar Refractivity: 47.3514 cm^3
• Polarizability: 14.121617 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.793

Product Information

• Purity: 95%