3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide

C11H6BrF3N2O2S — CID 47248941

IUPAC3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1sccc1Br
InChIInChI=1S/C11H6BrF3N2O2S/c12-6-1-2-20-8(6)10(19)17-7-3-5(11(13,14)15)4-16-9(7)18/h1-4H,(H,16,18)(H,17,19)
InChIKeyIBYWJUWWGUATIR-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.47
Rot. Bonds2

About 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide

3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 47248941) has the molecular formula C11H6BrF3N2O2S and a molecular weight of 367.15 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide
PubChem CID47248941
Molecular FormulaC11H6BrF3N2O2S
Molecular Weight367.15 g/mol
Exact Mass365.93
IUPAC Name3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1sccc1Br
InChIInChI=1S/C11H6BrF3N2O2S/c12-6-1-2-20-8(6)10(19)17-7-3-5(11(13,14)15)4-16-9(7)18/h1-4H,(H,16,18)(H,17,19)
InChIKeyIBYWJUWWGUATIR-UHFFFAOYSA-N
XLogP3.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide (CID 47248941) is 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is IBYWJUWWGUATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2O2S/c12-6-1-2-20-8(6)10(19)17-7-3-5(11(13,14)15)4-16-9(7)18/h1-4H,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide?
3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 367.15 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47248941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).