7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one

C14H11NO2S — CID 134855595

IUPAC7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1ccc(-c2cc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C14H11NO2S/c1-8-2-4-9(5-3-8)12-6-10-14(18-12)11(16)7-13(17)15-10/h2-7H,1H3,(H2,15,16,17)
InChIKeyLRYJDQWYGSARDI-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.27
Rot. Bonds1

About 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one

7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 134855595) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID134855595
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1ccc(-c2cc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C14H11NO2S/c1-8-2-4-9(5-3-8)12-6-10-14(18-12)11(16)7-13(17)15-10/h2-7H,1H3,(H2,15,16,17)
InChIKeyLRYJDQWYGSARDI-UHFFFAOYSA-N
XLogP3.27
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one (CID 134855595) is 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one is Cc1ccc(-c2cc3[nH]c(=O)cc(O)c3s2)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is LRYJDQWYGSARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-2-4-9(5-3-8)12-6-10-14(18-12)11(16)7-13(17)15-10/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 257.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methylphenyl)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 134855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).