1-[(6-Chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
Basic information
- CAS
652172-17-3- Standard SMILES
O=C(NC1(C(=O)O)CCCCC1)c1ccc(Cl)nc1- InChIKey
HMNQPFVLPYSYJJ-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- 1-[(6-Chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
- IUPAC
- 1-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
Names & synonyms
652172-17-31-[(6-Chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acidDTXSID10655762AKOS0089864421-(6-Chloropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
Database identifiers
- CAS
652172-17-3- PubChem CID
- 43239129
- DTXSID
DTXSID10655762
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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