Basic information
- Standard SMILES
O=C(O)c1cc(F)cnc1Oc1cccc(Cl)c1- InChIKey
XEEKQFWNBBPJGU-UHFFFAOYSA-N- Molecular formula
- C12H7ClFNO3
- Average molar mass
- 267.64 g/mol
- Monoisotopic mass
- 267.0098489
Names & identifiers
- Preferred name
- 2-(3-Chloro-phenoxy)-5-fluoro-nicotinic acid
- IUPAC
- 2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
Names & synonyms
SCHEMBL2333648XEEKQFWNBBPJGU-UHFFFAOYSA-N2-(3-Chloro-phenoxy)-5-fluoro-nicotinic acid
Database identifiers
- PubChem CID
- 67367395
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
2 records
Compound notes
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