3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

C18H11BrN2O2S — CID 54747287

IUPAC3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(Br)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C18H11BrN2O2S/c19-12-5-3-10(4-6-12)13-9-24-18-15(13)16(22)14(17(23)21-18)11-2-1-7-20-8-11/h1-9H,(H2,21,22,23)
InChIKeyAUOVXRUKYCNSKS-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.79
Rot. Bonds2

About 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one

3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54747287) has the molecular formula C18H11BrN2O2S and a molecular weight of 399.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54747287
Molecular FormulaC18H11BrN2O2S
Molecular Weight399.27 g/mol
Exact Mass397.97
IUPAC Name3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1[nH]c2scc(-c3ccc(Br)cc3)c2c(O)c1-c1cccnc1
InChIInChI=1S/C18H11BrN2O2S/c19-12-5-3-10(4-6-12)13-9-24-18-15(13)16(22)14(17(23)21-18)11-2-1-7-20-8-11/h1-9H,(H2,21,22,23)
InChIKeyAUOVXRUKYCNSKS-UHFFFAOYSA-N
XLogP4.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one (CID 54747287) is 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is O=c1[nH]c2scc(-c3ccc(Br)cc3)c2c(O)c1-c1cccnc1.
What is the InChIKey of 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is AUOVXRUKYCNSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O2S/c19-12-5-3-10(4-6-12)13-9-24-18-15(13)16(22)14(17(23)21-18)11-2-1-7-20-8-11/h1-9H,(H2,21,22,23).
What are the key properties of 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one?
3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 399.27 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-hydroxy-5-pyridin-3-yl-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54747287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).