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

C19H12ClNO3S — CID 54677943

IUPAC2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)cc2c(O)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H12ClNO3S/c20-15-10-14-17(22)16(18(23)21-19(14)25-15)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H2,21,22,23)
InChIKeyHNZIGPPIWHUECJ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.41
Rot. Bonds3

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

2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54677943) has the molecular formula C19H12ClNO3S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54677943
Molecular FormulaC19H12ClNO3S
Molecular Weight369.83 g/mol
Exact Mass369.02
IUPAC Name2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)cc2c(O)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H12ClNO3S/c20-15-10-14-17(22)16(18(23)21-19(14)25-15)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H2,21,22,23)
InChIKeyHNZIGPPIWHUECJ-UHFFFAOYSA-N
XLogP5.41
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 54677943) is 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)cc2c(O)c1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is HNZIGPPIWHUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3S/c20-15-10-14-17(22)16(18(23)21-19(14)25-15)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10H,(H2,21,22,23).
What are the key properties of 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 369.83 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54677943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).