4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile

C19H10FN3OS — CID 53380598

IUPAC4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)c1
InChIInChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24)
InChIKeyQTMWRIBZHAYRNM-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.33
Rot. Bonds2

About 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile

4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile (PubChem CID 53380598) has the molecular formula C19H10FN3OS and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile
PubChem CID53380598
Molecular FormulaC19H10FN3OS
Molecular Weight347.37 g/mol
Exact Mass347.05
IUPAC Name4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile
SMILESN#Cc1ccc(F)c(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)c1
InChIInChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24)
InChIKeyQTMWRIBZHAYRNM-UHFFFAOYSA-N
XLogP4.33
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile?
The IUPAC name of 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile (CID 53380598) is 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile is N#Cc1ccc(F)c(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)c1.
What is the InChIKey of 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile?
The InChIKey is QTMWRIBZHAYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24).
What are the key properties of 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile?
4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile has a molecular weight of 347.37 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-oxo-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-7-yl)benzonitrile is sourced from PubChem (CID 53380598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).