2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H7F3N2S — CID 15325355

IUPAC2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H7F3N2S/c1-7-8(6-16)9(12(13,14)15)5-10(17-7)11-3-2-4-18-11/h2-5H,1H3
InChIKeyJCQOKWZBMSVMHP-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.01
Rot. Bonds1

About 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 15325355) has the molecular formula C12H7F3N2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID15325355
Molecular FormulaC12H7F3N2S
Molecular Weight268.26 g/mol
Exact Mass268.03
IUPAC Name2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H7F3N2S/c1-7-8(6-16)9(12(13,14)15)5-10(17-7)11-3-2-4-18-11/h2-5H,1H3
InChIKeyJCQOKWZBMSVMHP-UHFFFAOYSA-N
XLogP4.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726258
2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726259
2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754784
2-(2-aminophenyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726264
ethyl (2R)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 1282692
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 15133262
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 5224028
N-butan-2-yl-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 43032379
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 24649710
2-[(2,4-dichlorophenyl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4196410
2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 7484723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 15325355) is 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JCQOKWZBMSVMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S/c1-7-8(6-16)9(12(13,14)15)5-10(17-7)11-3-2-4-18-11/h2-5H,1H3.
What are the key properties of 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 268.26 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 15325355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).