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-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 750693
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-(4-fluoro-phenyl)-5-methyl-4-thiophen-2-yl-nicotinonitrile
CID 936317
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726257
2-Amino-4-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 794068
2-(Dimethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1477169
2-(Methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 689130
2-Amino-5-methyl-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 934303
2-Amino-5-ethyl-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile
CID 937999

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).