4-Chlorophenyl 3,6-dihydro-5-[(methoxyimino)methyl]-1(2H)-pyridinecarboxylate
Basic information
- CAS
121750-57-0- Standard SMILES
CON=CC1=CCCN(C(=O)Oc2ccc(Cl)cc2)C1- InChIKey
CTVQNEVLCGSTKL-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O3
- Average molar mass
- 294.73 g/mol
- Monoisotopic mass
- 294.07712
Names & identifiers
- Preferred name
- 4-Chlorophenyl 3,6-dihydro-5-[(methoxyimino)methyl]-1(2H)-pyridinecarboxylate
- IUPAC
- (4-chlorophenyl) 5-(methoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
- English name
- 1(2H)-Pyridinecarboxylicacid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 4-chlorophenyl ester
- Molecular formula
- C14H15ClN2O3
- Molecular weight
- 294.73
Names & synonyms
(EZ)-Itamelineorb25673284-Chlorophenyl 3,6-dihydro-5-[(methoxyimino)methyl]-1(2H)-pyridinecarboxylateDTXSID2013648031(2H)-Pyridinecarboxylicacid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 4-chlorophenyl ester
Database identifiers
- CAS
121750-57-0- PubChem CID
- 65943
- DTXSID
DTXSID201364803
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 417.093 · 417.093±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.533 · -2.533±0.40(predicted)
- FDA UNII
- 5 VO597V509 · 5VO597V509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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