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

C13H10ClNOS — CID 118212054

IUPAC6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sccc2CCN1c1ccccc1Cl
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-2-4-11(10)15-7-5-9-6-8-17-12(9)13(15)16/h1-4,6,8H,5,7H2
InChIKeySSUGQCNFAIJATC-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.60
Rot. Bonds1

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

6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 118212054) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID118212054
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sccc2CCN1c1ccccc1Cl
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-2-4-11(10)15-7-5-9-6-8-17-12(9)13(15)16/h1-4,6,8H,5,7H2
InChIKeySSUGQCNFAIJATC-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 118212054) is 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one is O=C1c2sccc2CCN1c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is SSUGQCNFAIJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-3-1-2-4-11(10)15-7-5-9-6-8-17-12(9)13(15)16/h1-4,6,8H,5,7H2.
What are the key properties of 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 263.75 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 118212054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).