Basic information
- Standard SMILES
CC(F)(F)COc1ccc(C(=O)O)cn1- InChIKey
LQMPOYYMWCQUPN-UHFFFAOYSA-N- Molecular formula
- C9H9F2NO3
- Average molar mass
- 217.17 g/mol
- Monoisotopic mass
- 217.05504947
Names & identifiers
- Preferred name
- 6-(2,2-Difluoropropoxy)nicotinic acid
- IUPAC
- 6-(2,2-difluoropropoxy)pyridine-3-carboxylic acid
Names & synonyms
6-(2,2-Difluoropropoxy)nicotinic acid1373864-51-76-(2,2-difluoropropoxy)pyridine-3-carboxylic acidSCHEMBL2714708AKOS030233379A1-00499
Database identifiers
- PubChem CID
- 67509293
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
1 records
Compound notes
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