Basic information
- Standard SMILES
FC(F)(F)c1ccc(C2CCc3c(Cl)nc(Cl)nc32)cn1- InChIKey
UCJGCLWYPCICES-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2F3N3
- Average molar mass
- 334.12 g/mol
- Monoisotopic mass
- 333.0047371
Names & identifiers
- Preferred name
- 2,4-dichloro-7-(6-(trifluoromethyl)pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
- IUPAC
- 2,4-dichloro-7-[6-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Names & synonyms
2,4-dichloro-7-(6-(trifluoromethyl)pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidineSCHEMBL512262
Database identifiers
- PubChem CID
- 58075720
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
Loading…