Basic information
- Standard SMILES
CC(F)(F)COc1ncc(C(=O)O)cc1Cl- InChIKey
BYMWVDYUTFTMCR-UHFFFAOYSA-N- Molecular formula
- C9H8ClF2NO3
- Average molar mass
- 251.61 g/mol
- Monoisotopic mass
- 251.0160771
Names & identifiers
- Preferred name
- 5-Chloro-6-(2,2-difluoropropoxy)nicotinic acid
- IUPAC
- 5-chloro-6-(2,2-difluoropropoxy)pyridine-3-carboxylic acid
Names & synonyms
5-chloro-6-(2,2-difluoropropoxy)nicotinic acidSCHEMBL15350023
Database identifiers
- PubChem CID
- 89873804
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
1 records
Compound notes
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