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

C13H7BrClF3N2O — CID 103751854

IUPAC2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Br
InChIInChI=1S/C13H7BrClF3N2O/c14-11-8(2-1-5-19-11)12(21)20-7-3-4-10(15)9(6-7)13(16,17)18/h1-6H,(H,20,21)
InChIKeyQAKMERBRUAMXKL-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

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

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 103751854) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID103751854
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC Name2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Br
InChIInChI=1S/C13H7BrClF3N2O/c14-11-8(2-1-5-19-11)12(21)20-7-3-4-10(15)9(6-7)13(16,17)18/h1-6H,(H,20,21)
InChIKeyQAKMERBRUAMXKL-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 54.77
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-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 103751854) is 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QAKMERBRUAMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-11-8(2-1-5-19-11)12(21)20-7-3-4-10(15)9(6-7)13(16,17)18/h1-6H,(H,20,21).
What are the key properties of 2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 379.56 g/mol, XLogP of 4.77, 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-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103751854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).