[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate

C14H11ClN2O3 — CID 1088651

IUPAC[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18)
InChIKeyWOPDAUVSLJFCMA-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.53
Rot. Bonds4

About [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088651) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088651
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18)
InChIKeyWOPDAUVSLJFCMA-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2714936
[2-(3-chloroanilino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226356
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837883
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906032
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2624513
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8905906
[2-(3-chloroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617453

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088651) is [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is WOPDAUVSLJFCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-4-3-5-11(8-10)17-13(18)9-20-14(19)12-6-1-2-7-16-12/h1-8H,9H2,(H,17,18).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 290.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).