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

C19H14FNO2S — CID 68633766

IUPAC5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESOC1=C(c2ccc(F)cc2)CNc2scc(-c3ccc(O)cc3)c21
InChIInChI=1S/C19H14FNO2S/c20-13-5-1-11(2-6-13)15-9-21-19-17(18(15)23)16(10-24-19)12-3-7-14(22)8-4-12/h1-8,10,21-23H,9H2
InChIKeyKYBVKRFVGUDJGO-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.11
Rot. Bonds2

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

5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol (PubChem CID 68633766) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol
PubChem CID68633766
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol
SMILESOC1=C(c2ccc(F)cc2)CNc2scc(-c3ccc(O)cc3)c21
InChIInChI=1S/C19H14FNO2S/c20-13-5-1-11(2-6-13)15-9-21-19-17(18(15)23)16(10-24-19)12-3-7-14(22)8-4-12/h1-8,10,21-23H,9H2
InChIKeyKYBVKRFVGUDJGO-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 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol (CID 68633766) is 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol is OC1=C(c2ccc(F)cc2)CNc2scc(-c3ccc(O)cc3)c21.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
The InChIKey is KYBVKRFVGUDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c20-13-5-1-11(2-6-13)15-9-21-19-17(18(15)23)16(10-24-19)12-3-7-14(22)8-4-12/h1-8,10,21-23H,9H2.
What are the key properties of 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol?
5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-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 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-6,7-dihydrothieno[2,3-b]pyridin-4-ol is sourced from PubChem (CID 68633766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).