2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

C14H10BrNO2S — CID 54719722

IUPAC2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C14H10BrNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyVUDYPGANXBOBOC-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.03
Rot. Bonds1

About 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one

2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54719722) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54719722
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C14H10BrNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18)
InChIKeyVUDYPGANXBOBOC-UHFFFAOYSA-N
XLogP4.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54719722) is 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is Cc1c(Br)sc2[nH]c(=O)c(-c3ccccc3)c(O)c12.
What is the InChIKey of 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is VUDYPGANXBOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c1-7-9-11(17)10(8-5-3-2-4-6-8)13(18)16-14(9)19-12(7)15/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 336.21 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54719722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).