2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one

C13H10ClNOS — CID 66673217

IUPAC2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESO=C1NCCc2cc(-c3ccc(Cl)cc3)sc21
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-8(2-4-10)11-7-9-5-6-15-13(16)12(9)17-11/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNPPPNNPYWMVJBH-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one

2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (PubChem CID 66673217) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
PubChem CID66673217
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESO=C1NCCc2cc(-c3ccc(Cl)cc3)sc21
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-8(2-4-10)11-7-9-5-6-15-13(16)12(9)17-11/h1-4,7H,5-6H2,(H,15,16)
InChIKeyNPPPNNPYWMVJBH-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (CID 66673217) is 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is O=C1NCCc2cc(-c3ccc(Cl)cc3)sc21.
What is the InChIKey of 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The InChIKey is NPPPNNPYWMVJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-3-1-8(2-4-10)11-7-9-5-6-15-13(16)12(9)17-11/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one has a molecular weight of 263.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66673217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).