7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C18H12N2O2S — CID 53245731

IUPAC7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2ccc(O)cc2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)
InChIKeyCCZJKJIDVXAPAV-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.02
Rot. Bonds2

About 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 53245731) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID53245731
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2ccc(O)cc2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)
InChIKeyCCZJKJIDVXAPAV-UHFFFAOYSA-N
XLogP4.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 53245731) is 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(-c2ccc(O)cc2)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is CCZJKJIDVXAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22).
What are the key properties of 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 320.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 53245731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).