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

C10H6ClNO2S — CID 2774709

IUPAC(2-chloro-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cccnc1Cl)c1cccs1
InChIInChI=1S/C10H6ClNO2S/c11-9-7(3-1-5-12-9)14-10(13)8-4-2-6-15-8/h1-6H
InChIKeyIXMUCEMQJLTPRR-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.02
Rot. Bonds2

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

(2-chloro-3-pyridinyl) thiophene-2-carboxylate (PubChem CID 2774709) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl) thiophene-2-carboxylate
PubChem CID2774709
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name(2-chloro-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cccnc1Cl)c1cccs1
InChIInChI=1S/C10H6ClNO2S/c11-9-7(3-1-5-12-9)14-10(13)8-4-2-6-15-8/h1-6H
InChIKeyIXMUCEMQJLTPRR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl) thiophene-2-carboxylate?
The IUPAC name of (2-chloro-3-pyridinyl) thiophene-2-carboxylate (CID 2774709) is (2-chloro-3-pyridinyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-chloro-3-pyridinyl) thiophene-2-carboxylate?
The canonical SMILES for (2-chloro-3-pyridinyl) thiophene-2-carboxylate is O=C(Oc1cccnc1Cl)c1cccs1.
What is the InChIKey of (2-chloro-3-pyridinyl) thiophene-2-carboxylate?
The InChIKey is IXMUCEMQJLTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-9-7(3-1-5-12-9)14-10(13)8-4-2-6-15-8/h1-6H.
What are the key properties of (2-chloro-3-pyridinyl) thiophene-2-carboxylate?
(2-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 (2-chloro-3-pyridinyl) thiophene-2-carboxylate is sourced from PubChem (CID 2774709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).