1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone

C9H6BrNOS — CID 58622541

IUPAC1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C9H6BrNOS/c1-5(12)8-2-6-7(10)3-11-4-9(6)13-8/h2-4H,1H3
InChIKeyIGTXCVJOPXCBEM-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.26
Rot. Bonds1

About 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone

1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone (PubChem CID 58622541) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
PubChem CID58622541
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c(Br)cncc2s1
InChIInChI=1S/C9H6BrNOS/c1-5(12)8-2-6-7(10)3-11-4-9(6)13-8/h2-4H,1H3
InChIKeyIGTXCVJOPXCBEM-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone (CID 58622541) is 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone is CC(=O)c1cc2c(Br)cncc2s1.
What is the InChIKey of 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone?
The InChIKey is IGTXCVJOPXCBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c1-5(12)8-2-6-7(10)3-11-4-9(6)13-8/h2-4H,1H3.
What are the key properties of 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone?
1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone has a molecular weight of 256.12 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothieno[2,3-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 58622541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).