[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate

C12H8ClNO3S — CID 3304102

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C12H8ClNO3S/c13-11-5-4-10(18-11)9(15)7-17-12(16)8-3-1-2-6-14-8/h1-6H,7H2
InChIKeyAKQCRDHWBDZILH-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.84
Rot. Bonds4

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 3304102) has the molecular formula C12H8ClNO3S and a molecular weight of 281.72 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID3304102
Molecular FormulaC12H8ClNO3S
Molecular Weight281.72 g/mol
Exact Mass280.99
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C12H8ClNO3S/c13-11-5-4-10(18-11)9(15)7-17-12(16)8-3-1-2-6-14-8/h1-6H,7H2
InChIKeyAKQCRDHWBDZILH-UHFFFAOYSA-N
XLogP2.84
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-chlorothiophen-2-yl)-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

Methyl 4-[(2,3-dichlorophenyl)sulfanyl]-2-pyridinecarboxylate
CID 1476824
2-(5-Chlorothiophen-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2365093
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 2474001
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 5024664
Methyl 4-[(2,6-dichlorophenyl)sulfanyl]-2-pyridinecarboxylate
CID 1476825
2-(5-Chlorothiophen-2-yl)-2-oxoethyl 2-chloropyridine-3-carboxylate
CID 2443498
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2431627
4-Chloropyridine-2-carboxylic acid ethyl ester
CID 13015359
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 4529534
Sodium 5-(4-chlorophenyl)sulfanylpyridine-2-carboxylate
CID 23711158
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2359441

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate (CID 3304102) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate is O=C(OCC(=O)c1ccc(Cl)s1)c1ccccn1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is AKQCRDHWBDZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3S/c13-11-5-4-10(18-11)9(15)7-17-12(16)8-3-1-2-6-14-8/h1-6H,7H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 281.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 3304102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).