2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one

C17H10ClNO2S2 — CID 66936722

IUPAC2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccccc3)c2c(O)c1-c1cccs1
InChIInChI=1S/C17H10ClNO2S2/c18-15-11(9-5-2-1-3-6-9)13-14(20)12(10-7-4-8-22-10)16(21)19-17(13)23-15/h1-8H,(H2,19,20,21)
InChIKeyYSVFZRFKNDTCEY-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.34
Rot. Bonds2

About 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one

2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 66936722) has the molecular formula C17H10ClNO2S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID66936722
Molecular FormulaC17H10ClNO2S2
Molecular Weight359.86 g/mol
Exact Mass358.98
IUPAC Name2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccccc3)c2c(O)c1-c1cccs1
InChIInChI=1S/C17H10ClNO2S2/c18-15-11(9-5-2-1-3-6-9)13-14(20)12(10-7-4-8-22-10)16(21)19-17(13)23-15/h1-8H,(H2,19,20,21)
InChIKeyYSVFZRFKNDTCEY-UHFFFAOYSA-N
XLogP5.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.34
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-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one (CID 66936722) is 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3ccccc3)c2c(O)c1-c1cccs1.
What is the InChIKey of 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is YSVFZRFKNDTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2S2/c18-15-11(9-5-2-1-3-6-9)13-14(20)12(10-7-4-8-22-10)16(21)19-17(13)23-15/h1-8H,(H2,19,20,21).
What are the key properties of 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 359.86 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hydroxy-3-phenyl-5-thiophen-2-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 66936722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).