5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C13H7Br2F3N2O — CID 26197896

IUPAC5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cncc(Br)c1
InChIInChI=1S/C13H7Br2F3N2O/c14-8-3-7(5-19-6-8)12(21)20-9-1-2-11(15)10(4-9)13(16,17)18/h1-6H,(H,20,21)
InChIKeyRDRWQVDTZGHQGY-UHFFFAOYSA-N
MW424.01 g/mol
LogP4.88
Rot. Bonds2

About 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 26197896) has the molecular formula C13H7Br2F3N2O and a molecular weight of 424.01 g/mol. Its IUPAC name is 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID26197896
Molecular FormulaC13H7Br2F3N2O
Molecular Weight424.01 g/mol
Exact Mass421.89
IUPAC Name5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cncc(Br)c1
InChIInChI=1S/C13H7Br2F3N2O/c14-8-3-7(5-19-6-8)12(21)20-9-1-2-11(15)10(4-9)13(16,17)18/h1-6H,(H,20,21)
InChIKeyRDRWQVDTZGHQGY-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
CID 7920385
5-bromo-N-(3-carbamothioyl-4-fluorophenyl)pyridine-3-carboxamide
CID 62316120

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 26197896) is 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RDRWQVDTZGHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F3N2O/c14-8-3-7(5-19-6-8)12(21)20-9-1-2-11(15)10(4-9)13(16,17)18/h1-6H,(H,20,21).
What are the key properties of 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 424.01 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26197896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).