(5-Chloro-3-pyridinyl)methyl 3-pyridineacetate
Basic information
- CAS
41669-23-2- Standard SMILES
O=C(Cc1cccnc1)OCc1cncc(Cl)c1- InChIKey
AEVCHPNDJLDPJS-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- (5-Chloro-3-pyridinyl)methyl 3-pyridineacetate
- IUPAC
- (5-chloro-3-pyridinyl)methyl 2-pyridin-3-ylacetate
Names & synonyms
(5-Chloro-3-pyridinyl)methyl 3-pyridineacetateDTXSID00124673841669-23-2(5-Chloropyridin-3-yl)methyl (pyridin-3-yl)acetate
Database identifiers
- CAS
41669-23-2- PubChem CID
- 216875
- DTXSID
DTXSID001246738
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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