4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile

C15H11FN2O2 — CID 118589303

IUPAC4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)CCOC2
InChIInChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)14-11(7-17)15(19)18-13-5-6-20-8-12(13)14/h1-4H,5-6,8H2,(H,18,19)
InChIKeyQCCKNZIBCLUVAZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.13
Rot. Bonds1

About 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 118589303) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID118589303
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)CCOC2
InChIInChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)14-11(7-17)15(19)18-13-5-6-20-8-12(13)14/h1-4H,5-6,8H2,(H,18,19)
InChIKeyQCCKNZIBCLUVAZ-UHFFFAOYSA-N
XLogP2.13
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
Ethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 12733237
4,5-dimethyl-2-oxo-5-(2-phenylethoxy)-1H-pyrrole-3-carbonitrile
CID 10848675
ethyl 5-cyano-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048147
methyl 5-cyano-4-(4-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 58992716
8-(3-fluorophenyl)-3,3-dimethyl-6-oxo-4,7-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 71119298
(2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784042
(3-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784250
ethyl 5-cyano-2-[(E)-2-(2-fluorophenyl)ethenyl]-6-oxo-1H-pyridine-3-carboxylate
CID 11255396
2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
CID 75401603
Ethyl 2-methyl-4-(4-fluorophenyl)-5-cyano-6-(dicyano-methylidene)-1,6-dihydropyridine-3-carboxylate
CID 102368164
4-[4-fluoro-2-(propan-2-yloxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584774

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile (CID 118589303) is 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)CCOC2.
What is the InChIKey of 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QCCKNZIBCLUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-10-3-1-9(2-4-10)14-11(7-17)15(19)18-13-5-6-20-8-12(13)14/h1-4H,5-6,8H2,(H,18,19).
What are the key properties of 4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 2.13, 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-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 118589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).