2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

C11H12BrNOS — CID 176902481

IUPAC2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCC(C)c1cn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C11H12BrNOS/c1-6(2)8-5-13(3)11(14)7-4-9(12)15-10(7)8/h4-6H,1-3H3
InChIKeyFMMXFDVCJKQKPT-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.49
Rot. Bonds1

About 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (PubChem CID 176902481) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
PubChem CID176902481
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCC(C)c1cn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C11H12BrNOS/c1-6(2)8-5-13(3)11(14)7-4-9(12)15-10(7)8/h4-6H,1-3H3
InChIKeyFMMXFDVCJKQKPT-UHFFFAOYSA-N
XLogP3.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (CID 176902481) is 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is CC(C)c1cn(C)c(=O)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The InChIKey is FMMXFDVCJKQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-6(2)8-5-13(3)11(14)7-4-9(12)15-10(7)8/h4-6H,1-3H3.
What are the key properties of 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one has a molecular weight of 286.19 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 176902481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).