[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate

C20H16FNO3 — CID 30925633

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO3/c1-14(15-9-11-16(21)12-10-15)24-20(23)18-8-5-13-22-19(18)25-17-6-3-2-4-7-17/h2-14H,1H3/t14-/m1/s1
InChIKeyULJFSZGLDYRUIO-CQSZACIVSA-N
MW337.35 g/mol
LogP4.93
Rot. Bonds5

About [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate

[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 30925633) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
PubChem CID30925633
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO3/c1-14(15-9-11-16(21)12-10-15)24-20(23)18-8-5-13-22-19(18)25-17-6-3-2-4-7-17/h2-14H,1H3/t14-/m1/s1
InChIKeyULJFSZGLDYRUIO-CQSZACIVSA-N
XLogP4.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate (CID 30925633) is [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate is C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is ULJFSZGLDYRUIO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-14(15-9-11-16(21)12-10-15)24-20(23)18-8-5-13-22-19(18)25-17-6-3-2-4-7-17/h2-14H,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate?
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 30925633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).