Basic information
- CAS
1154599-96-8- Standard SMILES
CCC1CN(c2cc(C(=O)O)cc(Cl)n2)CCO1- InChIKey
SNZMYQDRKNFXTN-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.07712
Names & identifiers
- Preferred name
- 4-Pyridinecarboxylic acid, 2-chloro-6-(2-ethyl-4-morpholinyl)-
- IUPAC
- 2-chloro-6-(2-ethylmorpholin-4-yl)pyridine-4-carboxylic acid
Names & synonyms
DTXSID2011778124-Pyridinecarboxylic acid, 2-chloro-6-(2-ethyl-4-morpholinyl)-1154599-96-82-chloro-6-(2-ethylmorpholin-4-yl)pyridine-4-carboxylic acid
Database identifiers
- CAS
1154599-96-8- PubChem CID
- 43563004
- DTXSID
DTXSID201177812
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…