2-chloro-5-fluoro-4-hydrazinylpyrimidine hydrochloride

• ChemBase ID: 237703
• Molecular Formular: C4H5Cl2FN4
• Molecular Mass: 199.0137032
• Monoisotopic Mass: 197.98752976
• SMILES: n1c(c(cnc1Cl)F)NN.Cl
• Canonical SMILES: NNc1nc(Cl)ncc1F.Cl
• InChI: InChI=1S/C4H4ClFN4.ClH/c5-4-8-1-2(6)3(9-4)10-7;/h1H,7H2,(H,8,9,10);1H
• InChIKey: HUKIZBBMXSUVTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoro-4-hydrazinylpyrimidine hydrochloride
• IUPAC Traditional name: 2-chloro-5-fluoro-4-hydrazinylpyrimidine hydrochloride
• Synonyms: 2-chloro-5-fluoro-4-hydrazinylpyrimidine hydrochloride

Database IDs

• MDL Number: MFCD22375248
• PubChem SID: 164293613
• PubChem CID: 71755988

CALCULATED PROPERTIES

• Acid pKa: 15.561344
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.070429
• LogD (pH = 7.4): 1.0722787
• Log P: 1.0870879
• Molar Refractivity: 38.4575 cm^3
• Polarizability: 13.002541 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.045

Product Information

• Purity: 95%