Basic information
- CAS
148040-04-4- Standard SMILES
COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cc([N+](=O)[O-])ccc1F- InChIKey
KWDFKWDTUPMVNM-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O6
- Average molar mass
- 348.28 g/mol
- Monoisotopic mass
- 348.0757643
Names & identifiers
- Preferred name
- Tei 1365
- IUPAC
- 4-(2-fluoro-5-nitrophenyl)-5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
Names & synonyms
TEI-1365TEI 1365Monomethyl 2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-3,5-pyridinedicarboxylate148040-04-43,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester4-(2-Fluoro-5-nitrophenyl)-3-methoxycarbonyl-2,6-dimethyl-5-pyridinecarboxylic acidDTXSID30163874RefChem:382839DTXCID80863654-(2-FLUORO-5-NITROPHENYL)-5-(METHOXYCARBONYL)-2,6-DIMETHYLPYRIDINE-3-CARBOXYLIC ACID
Database identifiers
- CAS
148040-04-4- PubChem CID
- 3073293
- DTXSID
DTXSID30163874- Nikkaji
- J484.333I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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