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

C13H7Cl2NO3S — CID 54679007

IUPAC2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc(O)cc3)c2c(O)c1Cl
InChIInChI=1S/C13H7Cl2NO3S/c14-9-10(18)8-7(5-1-3-6(17)4-2-5)11(15)20-13(8)16-12(9)19/h1-4,17H,(H2,16,18,19)
InChIKeyBVJIPFDIOHGQPP-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.97
Rot. Bonds1

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

2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54679007) has the molecular formula C13H7Cl2NO3S and a molecular weight of 328.18 g/mol. Its IUPAC name is 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54679007
Molecular FormulaC13H7Cl2NO3S
Molecular Weight328.18 g/mol
Exact Mass326.95
IUPAC Name2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc(O)cc3)c2c(O)c1Cl
InChIInChI=1S/C13H7Cl2NO3S/c14-9-10(18)8-7(5-1-3-6(17)4-2-5)11(15)20-13(8)16-12(9)19/h1-4,17H,(H2,16,18,19)
InChIKeyBVJIPFDIOHGQPP-UHFFFAOYSA-N
XLogP3.97
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 54679007) is 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3ccc(O)cc3)c2c(O)c1Cl.
What is the InChIKey of 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is BVJIPFDIOHGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO3S/c14-9-10(18)8-7(5-1-3-6(17)4-2-5)11(15)20-13(8)16-12(9)19/h1-4,17H,(H2,16,18,19).
What are the key properties of 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 328.18 g/mol, XLogP of 3.97, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-hydroxy-3-(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54679007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).