(5-chloro-3-pyridinyl) thiophene-2-carboxylate

C10H6ClNO2S — CID 2800278

IUPAC(5-chloro-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccs1
InChIInChI=1S/C10H6ClNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
InChIKeyPAVJYVVZIJTAHT-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.02
Rot. Bonds2

About (5-chloro-3-pyridinyl) thiophene-2-carboxylate

(5-chloro-3-pyridinyl) thiophene-2-carboxylate (PubChem CID 2800278) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) thiophene-2-carboxylate
PubChem CID2800278
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name(5-chloro-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cccs1
InChIInChI=1S/C10H6ClNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
InChIKeyPAVJYVVZIJTAHT-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-3-pyridinyl) thiophene-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 (5-chloro-3-pyridinyl) thiophene-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) thiophene-2-carboxylate (CID 2800278) is (5-chloro-3-pyridinyl) thiophene-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) thiophene-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) thiophene-2-carboxylate is O=C(Oc1cncc(Cl)c1)c1cccs1.
What is the InChIKey of (5-chloro-3-pyridinyl) thiophene-2-carboxylate?
The InChIKey is PAVJYVVZIJTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H.
What are the key properties of (5-chloro-3-pyridinyl) thiophene-2-carboxylate?
(5-chloro-3-pyridinyl) thiophene-2-carboxylate has a molecular weight of 239.68 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) thiophene-2-carboxylate is sourced from PubChem (CID 2800278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).