Basic information
- CAS
23723-36-6- Standard SMILES
O=C(Cc1cccnc1)OCc1cncc(F)c1- InChIKey
IDDLBJPPUNSPBZ-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O2
- Average molar mass
- 246.24 g/mol
- Monoisotopic mass
- 246.08045576
Names & identifiers
- Preferred name
- 3-Pyridineacetic acid, (5-fluoro-3-pyridinyl)methyl ester
- IUPAC
- (5-fluoro-3-pyridinyl)methyl 2-pyridin-3-ylacetate
Names & synonyms
BRN 04842263-Pyridineacetic acid, (5-fluoro-3-pyridinyl)methyl ester23723-36-65-Fluoro-3-pyridylmethyl-3-pyridylacetateDTXSID60178395RefChem:282022DTXCID90100886(5-Fluoropyridin-3-yl)methyl (pyridin-3-yl)acetate
Database identifiers
- CAS
23723-36-6- PubChem CID
- 211900
- DTXSID
DTXSID60178395
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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