[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate

C14H11FN2O3 — CID 656057

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-5-12(6-4-11)17-13(18)9-20-14(19)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyPIQHITITUGDJIL-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.02
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 656057) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID656057
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-3-5-12(6-4-11)17-13(18)9-20-14(19)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,18)
InChIKeyPIQHITITUGDJIL-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 656057) is [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is PIQHITITUGDJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-3-5-12(6-4-11)17-13(18)9-20-14(19)10-2-1-7-16-8-10/h1-8H,9H2,(H,17,18).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 274.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 656057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).