[5-Methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-yl]acetic acid
Basic information
- CAS
1806780-86-8- Standard SMILES
Cc1cc(CC(=O)O)c(OC(F)(F)F)nc1[N+](=O)[O-]- InChIKey
JVSKGWGAMOFCPR-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O5
- Average molar mass
- 280.16 g/mol
- Monoisotopic mass
- 280.03070581
Names & identifiers
- Preferred name
- [5-Methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-yl]acetic acid
- IUPAC
- 2-[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
Names & synonyms
DTXSID1011810481806780-86-83-Pyridineacetic acid, 5-methyl-6-nitro-2-(trifluoromethoxy)-[5-Methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-yl]acetic acid
Database identifiers
- CAS
1806780-86-8- PubChem CID
- 134683022
- DTXSID
DTXSID101181048
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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