3-Pyridinebutanoic acid, (5-fluoro-3-pyridinyl)methyl ester

Substructure search Find similar structures

Basic information

CAS: 23723-35-5
Standard SMILES: O=C(CCCc1cccnc1)OCc1cncc(F)c1
InChIKey: MIVSSKVDEOTEOH-UHFFFAOYSA-N
Molecular formula: C15H15FN2O2
Average molar mass: 274.29 g/mol
Monoisotopic mass: 274.11175589

Names & identifiers

Preferred name: 3-Pyridinebutanoic acid, (5-fluoro-3-pyridinyl)methyl ester
IUPAC: (5-fluoro-3-pyridinyl)methyl 4-pyridin-3-ylbutanoate

Names & synonyms

BRN 0488948(5-Fluoro-3-pyridinyl)methyl 3-pyridinebutanoate3-Pyridinebutanoic acid, (5-fluoro-3-pyridinyl)methyl ester23723-35-5DTXSID00178394RefChem:282029DTXCID301008854-(3-pyridinyl)butanoic acid (5-fluoro-3-pyridinyl)methyl ester(5-fluoropyridin-3-yl)methyl 4-(pyridin-3-yl)butanoate

Database identifiers

CAS: 23723-35-5
PubChem CID: 211899
DTXSID: DTXSID00178394

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 302

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…