4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide

C13H6F6N2O2S — CID 123747904

IUPAC4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cnccc1C(F)(F)F)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C13H6F6N2O2S/c14-12(15,16)7-3-4-20-5-6(7)10(22)21-11(23)8-1-2-9(24-8)13(17,18)19/h1-5H,(H,21,22,23)
InChIKeyOEFZFJIMHYITLT-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.75
Rot. Bonds2

About 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide

4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide (PubChem CID 123747904) has the molecular formula C13H6F6N2O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide
PubChem CID123747904
Molecular FormulaC13H6F6N2O2S
Molecular Weight368.26 g/mol
Exact Mass368.01
IUPAC Name4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cnccc1C(F)(F)F)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C13H6F6N2O2S/c14-12(15,16)7-3-4-20-5-6(7)10(22)21-11(23)8-1-2-9(24-8)13(17,18)19/h1-5H,(H,21,22,23)
InChIKeyOEFZFJIMHYITLT-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 123784382
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171130054
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983790
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983740
N'-(cyclohexanecarbonyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 5078683
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide (CID 123747904) is 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide is O=C(NC(=O)c1cnccc1C(F)(F)F)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide?
The InChIKey is OEFZFJIMHYITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2O2S/c14-12(15,16)7-3-4-20-5-6(7)10(22)21-11(23)8-1-2-9(24-8)13(17,18)19/h1-5H,(H,21,22,23).
What are the key properties of 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide?
4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 123747904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).