3-Pyridinecarboxylic acid, (5-chloro-3-pyridinyl)methyl ester
Basic information
- CAS
23723-28-6- Standard SMILES
O=C(OCc1cncc(Cl)c1)c1cccnc1- InChIKey
VMCZLYZERNEZNY-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0352552
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, (5-chloro-3-pyridinyl)methyl ester
- IUPAC
- (5-chloro-3-pyridinyl)methyl pyridine-3-carboxylate
Names & synonyms
23723-28-6BRN 0480377(5-Chloro-3-pyridinyl)methyl nicotinate3-Pyridinecarboxylic acid, (5-chloro-3-pyridinyl)methyl esterDTXSID60178390RefChem:282173DTXCID90100881(5-chloropyridin-3-yl)methyl pyridine-3-carboxylate(5-chloropyridin-3-yl)methyl nicotinate
Database identifiers
- CAS
23723-28-6- PubChem CID
- 211895
- DTXSID
DTXSID60178390
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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