1-thieno[2,3-c]pyridin-2-ylethanone

C9H7NOS — CID 82410426

IUPAC1-thieno[2,3-c]pyridin-2-ylethanone
SMILESCC(=O)c1cc2ccncc2s1
InChIInChI=1S/C9H7NOS/c1-6(11)8-4-7-2-3-10-5-9(7)12-8/h2-5H,1H3
InChIKeyIDGAFMKNYJNWLE-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.50
Rot. Bonds1

About 1-thieno[2,3-c]pyridin-2-ylethanone

1-thieno[2,3-c]pyridin-2-ylethanone (PubChem CID 82410426) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-thieno[2,3-c]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-thieno[2,3-c]pyridin-2-ylethanone
PubChem CID82410426
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1-thieno[2,3-c]pyridin-2-ylethanone
SMILESCC(=O)c1cc2ccncc2s1
InChIInChI=1S/C9H7NOS/c1-6(11)8-4-7-2-3-10-5-9(7)12-8/h2-5H,1H3
InChIKeyIDGAFMKNYJNWLE-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-c]pyridin-2-ylethanone?
The IUPAC name of 1-thieno[2,3-c]pyridin-2-ylethanone (CID 82410426) is 1-thieno[2,3-c]pyridin-2-ylethanone.
What is the SMILES notation for 1-thieno[2,3-c]pyridin-2-ylethanone?
The canonical SMILES for 1-thieno[2,3-c]pyridin-2-ylethanone is CC(=O)c1cc2ccncc2s1.
What is the InChIKey of 1-thieno[2,3-c]pyridin-2-ylethanone?
The InChIKey is IDGAFMKNYJNWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-6(11)8-4-7-2-3-10-5-9(7)12-8/h2-5H,1H3.
What are the key properties of 1-thieno[2,3-c]pyridin-2-ylethanone?
1-thieno[2,3-c]pyridin-2-ylethanone has a molecular weight of 177.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-c]pyridin-2-ylethanone is sourced from PubChem (CID 82410426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).