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

C14H11ClN2O3 — CID 2999427

IUPAC[2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O3/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)
InChIKeyLOFUGKJXCBTWEZ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.53
Rot. Bonds4

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

[2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2999427) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2999427
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O3/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)
InChIKeyLOFUGKJXCBTWEZ-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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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 2999427) is [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is LOFUGKJXCBTWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/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-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2-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-(2-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2999427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).