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

C14H11FN2O3 — CID 1088633

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-10-5-1-2-6-11(10)17-13(18)9-20-14(19)12-7-3-4-8-16-12/h1-8H,9H2,(H,17,18)
InChIKeyWTSRBNBJKHYKDX-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.02
Rot. Bonds4

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

[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088633) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088633
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-10-5-1-2-6-11(10)17-13(18)9-20-14(19)12-7-3-4-8-16-12/h1-8H,9H2,(H,17,18)
InChIKeyWTSRBNBJKHYKDX-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

Analyze [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2714936
2-[(2-bromo-3-pyridinyl)oxy]-N-(2-fluorophenyl)acetamide
CID 65102015
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2674174
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530760
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702201

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088633) is [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is WTSRBNBJKHYKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-10-5-1-2-6-11(10)17-13(18)9-20-14(19)12-7-3-4-8-16-12/h1-8H,9H2,(H,17,18).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-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-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).