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

C19H11ClFNO2S — CID 54747286

IUPAC2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H11ClFNO2S/c20-17-13(11-6-8-12(21)9-7-11)15-16(23)14(10-4-2-1-3-5-10)18(24)22-19(15)25-17/h1-9H,(H2,22,23,24)
InChIKeyZRBYBZXURFMCIR-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.42
Rot. Bonds2

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

2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747286) has the molecular formula C19H11ClFNO2S and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747286
Molecular FormulaC19H11ClFNO2S
Molecular Weight371.82 g/mol
Exact Mass371.02
IUPAC Name2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H11ClFNO2S/c20-17-13(11-6-8-12(21)9-7-11)15-16(23)14(10-4-2-1-3-5-10)18(24)22-19(15)25-17/h1-9H,(H2,22,23,24)
InChIKeyZRBYBZXURFMCIR-UHFFFAOYSA-N
XLogP5.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54747286) is 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3ccc(F)cc3)c2c(O)c1-c1ccccc1.
What is the InChIKey of 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is ZRBYBZXURFMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNO2S/c20-17-13(11-6-8-12(21)9-7-11)15-16(23)14(10-4-2-1-3-5-10)18(24)22-19(15)25-17/h1-9H,(H2,22,23,24).
What are the key properties of 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 371.82 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-fluorophenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).