[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate

C14H10Cl2N2O3 — CID 644682

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-4-3-6-10(13(9)16)18-12(19)8-21-14(20)11-5-1-2-7-17-11/h1-7H,8H2,(H,18,19)
InChIKeyAVYINTPRJGWUCL-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.18
Rot. Bonds4

About [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 644682) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID644682
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-4-3-6-10(13(9)16)18-12(19)8-21-14(20)11-5-1-2-7-17-11/h1-7H,8H2,(H,18,19)
InChIKeyAVYINTPRJGWUCL-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dichloroanilino)-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

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 644682) is [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is AVYINTPRJGWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-4-3-6-10(13(9)16)18-12(19)8-21-14(20)11-5-1-2-7-17-11/h1-7H,8H2,(H,18,19).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 325.15 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 644682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).