1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H6F3N3OS — CID 2728505

IUPAC1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N)c1=O
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-8(9-2-1-3-19-9)17(16)10(18)6(7)5-15/h1-4H,16H2
InChIKeyYPYUGTWCAKILMY-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.18
Rot. Bonds1

About 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2728505) has the molecular formula C11H6F3N3OS and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2728505
Molecular FormulaC11H6F3N3OS
Molecular Weight285.25 g/mol
Exact Mass285.02
IUPAC Name1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N)c1=O
InChIInChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-8(9-2-1-3-19-9)17(16)10(18)6(7)5-15/h1-4H,16H2
InChIKeyYPYUGTWCAKILMY-UHFFFAOYSA-N
XLogP2.18
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
2-Oxo-4-(thiophen-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 25190449
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
2-Sulfanylidene-6-(thiophen-2-yl)-5-(trifluoroacetyl)-1,2-dihydropyridine-3-carbonitrile
CID 2308473
6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 21818174
1-Amino-3-isocyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 59099028
1-(Cyclopentylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59099051
1-(Cyclohexylideneamino)-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340156
1-[(4-Methylcyclohexen-1-yl)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 90723760
1-[(4-Ethylcyclohexen-1-yl)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 90908645
1-[(2-Methylcyclohexen-1-yl)amino]-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 90938181

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2728505) is 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N)c1=O.
What is the InChIKey of 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YPYUGTWCAKILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3OS/c12-11(13,14)7-4-8(9-2-1-3-19-9)17(16)10(18)6(7)5-15/h1-4H,16H2.
What are the key properties of 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 285.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2728505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).