5-[4-(2-Fluoro-4-nitrophenyl)-1-piperazinyl]pyrimidine
Basic information
- CAS
202135-71-5- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(c3cncnc3)CC2)c(F)c1- InChIKey
UVTMOKWZWIGPKO-UHFFFAOYSA-N- Molecular formula
- C14H14FN5O2
- Average molar mass
- 303.29 g/mol
- Monoisotopic mass
- 303.11315287
Names & identifiers
- Preferred name
- 5-[4-(2-Fluoro-4-nitrophenyl)-1-piperazinyl]pyrimidine
- IUPAC
- 5-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]pyrimidine
Names & synonyms
SCHEMBL83088495-[4-(2-Fluoro-4-nitrophenyl)-1-piperazinyl]pyrimidineDTXSID601209205202135-71-55-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]pyrimidine
Database identifiers
- CAS
202135-71-5- PubChem CID
- 54374843
- DTXSID
DTXSID601209205
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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