4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

C19H13NO4S — CID 66936310

IUPAC4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(O)cc3)c2c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C19H13NO4S/c21-12-5-1-10(2-6-12)14-9-25-19-16(14)17(23)15(18(24)20-19)11-3-7-13(22)8-4-11/h1-9,21-22H,(H2,20,23,24)
InChIKeyBWRHIIFWMSQOKZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.04
Rot. Bonds2

About 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 66936310) has the molecular formula C19H13NO4S and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID66936310
Molecular FormulaC19H13NO4S
Molecular Weight351.38 g/mol
Exact Mass351.06
IUPAC Name4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(O)cc3)c2c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C19H13NO4S/c21-12-5-1-10(2-6-12)14-9-25-19-16(14)17(23)15(18(24)20-19)11-3-7-13(22)8-4-11/h1-9,21-22H,(H2,20,23,24)
InChIKeyBWRHIIFWMSQOKZ-UHFFFAOYSA-N
XLogP4.04
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 66936310) is 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccc(O)cc3)c2c(O)c1-c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is BWRHIIFWMSQOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4S/c21-12-5-1-10(2-6-12)14-9-25-19-16(14)17(23)15(18(24)20-19)11-3-7-13(22)8-4-11/h1-9,21-22H,(H2,20,23,24).
What are the key properties of 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 351.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 66936310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).