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

C16H12ClNO2S — CID 54685363

IUPAC2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(C3CC3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C16H12ClNO2S/c17-14-10(9-6-7-9)12-13(19)11(8-4-2-1-3-5-8)15(20)18-16(12)21-14/h1-5,9H,6-7H2,(H2,18,19,20)
InChIKeyGWOAMMJLPKMFEG-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.49
Rot. Bonds2

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

2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54685363) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54685363
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(C3CC3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C16H12ClNO2S/c17-14-10(9-6-7-9)12-13(19)11(8-4-2-1-3-5-8)15(20)18-16(12)21-14/h1-5,9H,6-7H2,(H2,18,19,20)
InChIKeyGWOAMMJLPKMFEG-UHFFFAOYSA-N
XLogP4.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54685363) is 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(C3CC3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is GWOAMMJLPKMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c17-14-10(9-6-7-9)12-13(19)11(8-4-2-1-3-5-8)15(20)18-16(12)21-14/h1-5,9H,6-7H2,(H2,18,19,20).
What are the key properties of 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 317.80 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyclopropyl-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54685363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).