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

C19H11ClFNO3S — CID 54747324

IUPAC2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3cc(F)ccc3O)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H11ClFNO3S/c20-17-14(11-8-10(21)6-7-12(11)23)15-16(24)13(9-4-2-1-3-5-9)18(25)22-19(15)26-17/h1-8,23H,(H2,22,24,25)
InChIKeyPHVCJHNWFQBRCC-UHFFFAOYSA-N
MW387.82 g/mol
LogP5.13
Rot. Bonds2

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

2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747324) has the molecular formula C19H11ClFNO3S and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747324
Molecular FormulaC19H11ClFNO3S
Molecular Weight387.82 g/mol
Exact Mass387.01
IUPAC Name2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2sc(Cl)c(-c3cc(F)ccc3O)c2c(O)c1-c1ccccc1
InChIInChI=1S/C19H11ClFNO3S/c20-17-14(11-8-10(21)6-7-12(11)23)15-16(24)13(9-4-2-1-3-5-9)18(25)22-19(15)26-17/h1-8,23H,(H2,22,24,25)
InChIKeyPHVCJHNWFQBRCC-UHFFFAOYSA-N
XLogP5.13
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.82
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one (CID 54747324) is 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2sc(Cl)c(-c3cc(F)ccc3O)c2c(O)c1-c1ccccc1.
What is the InChIKey of 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is PHVCJHNWFQBRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNO3S/c20-17-14(11-8-10(21)6-7-12(11)23)15-16(24)13(9-4-2-1-3-5-9)18(25)22-19(15)26-17/h1-8,23H,(H2,22,24,25).
What are the key properties of 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one?
2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 387.82 g/mol, XLogP of 5.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(5-fluoro-2-hydroxyphenyl)-4-hydroxy-5-phenyl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).