3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol

C19H14FNO2S — CID 68632684

IUPAC3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESOC1=C(c2ccccc2)CNc2scc(-c3ccc(F)cc3O)c21
InChIInChI=1S/C19H14FNO2S/c20-12-6-7-13(16(22)8-12)15-10-24-19-17(15)18(23)14(9-21-19)11-4-2-1-3-5-11/h1-8,10,21-23H,9H2
InChIKeyCHNDFBKNCJDTPW-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.11
Rot. Bonds2

About 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol

3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol (PubChem CID 68632684) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
PubChem CID68632684
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESOC1=C(c2ccccc2)CNc2scc(-c3ccc(F)cc3O)c21
InChIInChI=1S/C19H14FNO2S/c20-12-6-7-13(16(22)8-12)15-10-24-19-17(15)18(23)14(9-21-19)11-4-2-1-3-5-11/h1-8,10,21-23H,9H2
InChIKeyCHNDFBKNCJDTPW-UHFFFAOYSA-N
XLogP5.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The IUPAC name of 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol (CID 68632684) is 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol.
What is the SMILES notation for 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The canonical SMILES for 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol is OC1=C(c2ccccc2)CNc2scc(-c3ccc(F)cc3O)c21.
What is the InChIKey of 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The InChIKey is CHNDFBKNCJDTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c20-12-6-7-13(16(22)8-12)15-10-24-19-17(15)18(23)14(9-21-19)11-4-2-1-3-5-11/h1-8,10,21-23H,9H2.
What are the key properties of 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol has a molecular weight of 339.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-hydroxyphenyl)-5-phenyl-6,7-dihydrothieno[2,3-b]pyridin-4-ol is sourced from PubChem (CID 68632684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).