[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate

C14H9Cl2NO3 — CID 2352555

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C14H9Cl2NO3/c15-9-4-5-10(11(16)7-9)13(18)8-20-14(19)12-3-1-2-6-17-12/h1-7H,8H2
InChIKeyYIMSJMMTMULKQT-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.43
Rot. Bonds4

About [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate

[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2352555) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2352555
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C14H9Cl2NO3/c15-9-4-5-10(11(16)7-9)13(18)8-20-14(19)12-3-1-2-6-17-12/h1-7H,8H2
InChIKeyYIMSJMMTMULKQT-UHFFFAOYSA-N
XLogP3.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate (CID 2352555) is [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate is O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is YIMSJMMTMULKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-9-4-5-10(11(16)7-9)13(18)8-20-14(19)12-3-1-2-6-17-12/h1-7H,8H2.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 310.14 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2352555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).