2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile

C18H11ClN2O2S — CID 661834

IUPAC2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2O2S/c19-14-6-3-12(4-7-14)16(22)11-24-18-13(10-20)5-8-15(21-18)17-2-1-9-23-17/h1-9H,11H2
InChIKeyULPRZMLHHBSZMP-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.84
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 661834) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID661834
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2O2S/c19-14-6-3-12(4-7-14)16(22)11-24-18-13(10-20)5-8-15(21-18)17-2-1-9-23-17/h1-9H,11H2
InChIKeyULPRZMLHHBSZMP-UHFFFAOYSA-N
XLogP4.84
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Furan-2-yl-2-(pyridin-4-ylmethylsulfanyl)-4-trifluoromethyl-nicotinonitrile
CID 648122
6-Cyclopropyl-4-(2-furyl)-2-[(2-oxo-2-phenylethyl)thio]nicotinonitrile
CID 571251
2-[[3-Cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester
CID 647959
6-(Furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
CID 657930
Methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
CID 658573
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide
CID 1086432
6-(2-Furyl)-2-[(2-pyridinylmethyl)thio]-4-(trifluoromethyl)nicotinonitrile
CID 1086433
(E)-3-(4-chlorophenyl)-2-(4-(furan-2-yl)thiazol-2-yl)acrylonitrile
CID 5818105
2-Amino-4-(4-chloro-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950372
2-(4-Chlorophenyl)-4-(furan-3-yl)-6-thiophen-3-ylpyridine
CID 46229205
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-(5-methylfuran-2-yl)pyridine
CID 46229599
2-Benzylsulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile
CID 666027

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile (CID 661834) is 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is ULPRZMLHHBSZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-14-6-3-12(4-7-14)16(22)11-24-18-13(10-20)5-8-15(21-18)17-2-1-9-23-17/h1-9H,11H2.
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile?
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 354.82 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 661834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).