3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride

• ChemBase ID: 101824
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: n1cc(CNNC)ccc1.Cl.Cl
• Canonical SMILES: CNNCc1cccnc1.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-8-10-6-7-3-2-4-9-5-7;;/h2-5,8,10H,6H2,1H3;2*1H
• InChIKey: ZQNITGOHWKOCEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• IUPAC Traditional name: 3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• Synonyms: 1-methyl-2-(pyrid-3-ylmethyl)hydrazine dihydrochloride

Database IDs

• PubChem SID: 162105351
• PubChem CID: 71300117

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36559805
• LogD (pH = 7.4): -0.08470465
• Log P: -0.07963752
• Molar Refractivity: 61.6789 cm^3
• Polarizability: 15.966363 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true