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

C13H7Br2F3N2O — CID 103751889

IUPAC2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1Br
InChIInChI=1S/C13H7Br2F3N2O/c14-10-4-3-7(6-9(10)13(16,17)18)20-12(21)8-2-1-5-19-11(8)15/h1-6H,(H,20,21)
InChIKeyQKWDUJQCSNSQRV-UHFFFAOYSA-N
MW424.01 g/mol
LogP4.88
Rot. Bonds2

About 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 103751889) has the molecular formula C13H7Br2F3N2O and a molecular weight of 424.01 g/mol. Its IUPAC name is 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID103751889
Molecular FormulaC13H7Br2F3N2O
Molecular Weight424.01 g/mol
Exact Mass421.89
IUPAC Name2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1Br
InChIInChI=1S/C13H7Br2F3N2O/c14-10-4-3-7(6-9(10)13(16,17)18)20-12(21)8-2-1-5-19-11(8)15/h1-6H,(H,20,21)
InChIKeyQKWDUJQCSNSQRV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
CID 103753980
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methyl-3-nitrobenzamide
CID 26864154
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 103751889) is 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QKWDUJQCSNSQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F3N2O/c14-10-4-3-7(6-9(10)13(16,17)18)20-12(21)8-2-1-5-19-11(8)15/h1-6H,(H,20,21).
What are the key properties of 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-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 2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).