2-hydrazinyl-4-(pyridin-3-yl)pyrimidine

• ChemBase ID: 309855
• Molecular Formular: C9H9N5
• Molecular Mass: 187.20126
• Monoisotopic Mass: 187.08579531
• SMILES: n1c(nccc1c1cnccc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cccnc1
• InChI: InChI=1S/C9H9N5/c10-14-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,10H2,(H,12,13,14)
• InChIKey: IJSPWNCSNGGZRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(pyridin-3-yl)pyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4-(pyridin-3-yl)pyrimidine
• Synonyms: 2-hydrazino-4-(3-pyridinyl)pyrimidine

Database IDs

• MDL Number: MFCD22575209

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.69752556
• LogD (pH = 7.4): 0.93166655
• Log P: 0.9355673
• Molar Refractivity: 54.9823 cm^3
• Polarizability: 21.164335 Å^3
• Polar Surface Area: 76.72 Å^2