4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

C19H11FN2OS — CID 2816445

IUPAC4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C19H11FN2OS/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23)
InChIKeyBJVKUBOMYHLBHT-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.33
Rot. Bonds1

About 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816445) has the molecular formula C19H11FN2OS and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816445
Molecular FormulaC19H11FN2OS
Molecular Weight334.38 g/mol
Exact Mass334.06
IUPAC Name4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)-c1ccccc1SC2
InChIInChI=1S/C19H11FN2OS/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23)
InChIKeyBJVKUBOMYHLBHT-UHFFFAOYSA-N
XLogP4.33
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile (CID 2816445) is 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)-c1ccccc1SC2.
What is the InChIKey of 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is BJVKUBOMYHLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2OS/c20-12-7-5-11(6-8-12)17-14(9-21)19(23)22-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).