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

C13H10F3N3S — CID 2726258

IUPAC2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C13H10F3N3S/c1-19(2)12-8(7-17)9(13(14,15)16)6-10(18-12)11-4-3-5-20-11/h3-6H,1-2H3
InChIKeyBPQKYSXGXIFVQQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.77
Rot. Bonds2

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

2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2726258) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2726258
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(C)c1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C13H10F3N3S/c1-19(2)12-8(7-17)9(13(14,15)16)6-10(18-12)11-4-3-5-20-11/h3-6H,1-2H3
InChIKeyBPQKYSXGXIFVQQ-UHFFFAOYSA-N
XLogP3.77
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726259
2-(2-aminophenyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726264
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16564036
ethyl (2R)-2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 1282692
2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 7484723
2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754784
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-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 24500982
2-(2-oxocyclohexyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2942865
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 629766

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2726258) is 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CN(C)c1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BPQKYSXGXIFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c1-19(2)12-8(7-17)9(13(14,15)16)6-10(18-12)11-4-3-5-20-11/h3-6H,1-2H3.
What are the key properties of 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2726258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).