2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C16H7F3N2O2S2 — CID 8005712

IUPAC2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c(C(=O)c2cccs2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H7F3N2O2S2/c17-16(18,19)14-12(13(22)10-4-2-6-25-10)11(9-3-1-5-24-9)8(7-20)15(23)21-14/h1-6H,(H,21,23)
InChIKeyNWEBDGQUDHKFQV-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.29
Rot. Bonds3

About 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 8005712) has the molecular formula C16H7F3N2O2S2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID8005712
Molecular FormulaC16H7F3N2O2S2
Molecular Weight380.37 g/mol
Exact Mass379.99
IUPAC Name2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c(C(=O)c2cccs2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C16H7F3N2O2S2/c17-16(18,19)14-12(13(22)10-4-2-6-25-10)11(9-3-1-5-24-9)8(7-20)15(23)21-14/h1-6H,(H,21,23)
InChIKeyNWEBDGQUDHKFQV-UHFFFAOYSA-N
XLogP4.29
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-sulfanylidene-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 15893181
6-Oxo-2-[(2-oxo-2-thien-2-ylethyl)sulfanyl]-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
CID 172003266
6-ethyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile
CID 15294777
6-Methyl-2-oxo-5-(thiophene-2-carbonyl)-1,2-dihydropyridine-3-carbonitrile
CID 20212815
6-ethyl-2-oxo-5-(3-oxo-3-thiophen-2-ylpropanoyl)-1H-pyridine-3-carbonitrile
CID 70493219
6-methyl-2-oxo-5-(3-oxo-3-thiophen-2-ylpropanoyl)-1H-pyridine-3-carbonitrile
CID 70494948

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 8005712) is 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)c(C(=O)c2cccs2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is NWEBDGQUDHKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F3N2O2S2/c17-16(18,19)14-12(13(22)10-4-2-6-25-10)11(9-3-1-5-24-9)8(7-20)15(23)21-14/h1-6H,(H,21,23).
What are the key properties of 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 380.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(thiophene-2-carbonyl)-4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 8005712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).