Basic information
- Standard SMILES
OC(CNc1cc(Cl)ncn1)c1ccc(F)cc1- InChIKey
PTSNZRNAKUNVDJ-UHFFFAOYSA-N- Molecular formula
- C12H11ClFN3O
- Average molar mass
- 267.68 g/mol
- Monoisotopic mass
- 267.0574678
Names & identifiers
- Preferred name
- 2-[(6-Chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
- IUPAC
- 2-[(6-chloropyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
Names & synonyms
SCHEMBL13663410
Database identifiers
- PubChem CID
- 76641108
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
Related reactions
1 records
Compound notes
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