3-bromo-5-methylthieno[3,2-c]pyridin-4-one

C8H6BrNOS — CID 86723093

IUPAC3-bromo-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1ccc2scc(Br)c2c1=O
InChIInChI=1S/C8H6BrNOS/c1-10-3-2-6-7(8(10)11)5(9)4-12-6/h2-4H,1H3
InChIKeyIHFOKWDRGYBJRR-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.36
Rot. Bonds

About 3-bromo-5-methylthieno[3,2-c]pyridin-4-one

3-bromo-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 86723093) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 3-bromo-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID86723093
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name3-bromo-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1ccc2scc(Br)c2c1=O
InChIInChI=1S/C8H6BrNOS/c1-10-3-2-6-7(8(10)11)5(9)4-12-6/h2-4H,1H3
InChIKeyIHFOKWDRGYBJRR-UHFFFAOYSA-N
XLogP2.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-5-methylthieno[3,2-c]pyridin-4-one (CID 86723093) is 3-bromo-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-5-methylthieno[3,2-c]pyridin-4-one is Cn1ccc2scc(Br)c2c1=O.
What is the InChIKey of 3-bromo-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is IHFOKWDRGYBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-10-3-2-6-7(8(10)11)5(9)4-12-6/h2-4H,1H3.
What are the key properties of 3-bromo-5-methylthieno[3,2-c]pyridin-4-one?
3-bromo-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 244.11 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 86723093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).