Basic information
- CAS
16866-66-3- Standard SMILES
O=C(OCc1cccnc1)c1ccccc1O- InChIKey
IWBWXPBNVXPLRS-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 3-Pyridylmethylsalicylate
- IUPAC
- pyridin-3-ylmethyl 2-hydroxybenzoate
Names & synonyms
3-Pyridylmethylsalicylate16866-66-3DTXSID90168587RefChem:282421DTXCID9091078nicotinyl salicylate(Pyridin-3-yl)methyl 2-hydroxybenzoate
Database identifiers
- CAS
16866-66-3- PubChem CID
- 40918
- DTXSID
DTXSID90168587
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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