6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

C18H11F3N2OS — CID 19656861

IUPAC6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)c(C#N)c(=O)[nH]2)s1
InChIInChI=1S/C18H11F3N2OS/c1-10-5-6-16(25-10)15-8-13(14(9-22)17(24)23-15)11-3-2-4-12(7-11)18(19,20)21/h2-8H,1H3,(H,23,24)
InChIKeyKYFONNQDOHBMQS-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.97
Rot. Bonds2

About 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 19656861) has the molecular formula C18H11F3N2OS and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID19656861
Molecular FormulaC18H11F3N2OS
Molecular Weight360.36 g/mol
Exact Mass360.05
IUPAC Name6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)c(C#N)c(=O)[nH]2)s1
InChIInChI=1S/C18H11F3N2OS/c1-10-5-6-16(25-10)15-8-13(14(9-22)17(24)23-15)11-3-2-4-12(7-11)18(19,20)21/h2-8H,1H3,(H,23,24)
InChIKeyKYFONNQDOHBMQS-UHFFFAOYSA-N
XLogP4.97
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656842
4-(4-tert-butylphenyl)-6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657131
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656656
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19657053
6-oxo-4-phenyl-2-[2-[[2-[3-(trifluoromethyl)phenyl]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168570931
6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656658
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 146048213

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (CID 19656861) is 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)c(C#N)c(=O)[nH]2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is KYFONNQDOHBMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2OS/c1-10-5-6-16(25-10)15-8-13(14(9-22)17(24)23-15)11-3-2-4-12(7-11)18(19,20)21/h2-8H,1H3,(H,23,24).
What are the key properties of 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 360.36 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).