5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide

C11H6BrF3N2OS — CID 82706170

IUPAC5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Br)c1
InChIInChI=1S/C11H6BrF3N2OS/c12-9-3-6(5-19-9)10(18)17-7-1-2-8(16-4-7)11(13,14)15/h1-5H,(H,17,18)
InChIKeyNLLDEINUNNOKFZ-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.18
Rot. Bonds2

About 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide

5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide (PubChem CID 82706170) has the molecular formula C11H6BrF3N2OS and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
PubChem CID82706170
Molecular FormulaC11H6BrF3N2OS
Molecular Weight351.15 g/mol
Exact Mass349.93
IUPAC Name5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Br)c1
InChIInChI=1S/C11H6BrF3N2OS/c12-9-3-6(5-19-9)10(18)17-7-1-2-8(16-4-7)11(13,14)15/h1-5H,(H,17,18)
InChIKeyNLLDEINUNNOKFZ-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
CID 82812057
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide (CID 82706170) is 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide?
The InChIKey is NLLDEINUNNOKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2OS/c12-9-3-6(5-19-9)10(18)17-7-1-2-8(16-4-7)11(13,14)15/h1-5H,(H,17,18).
What are the key properties of 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide?
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide has a molecular weight of 351.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide is sourced from PubChem (CID 82706170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).