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

C13H7BrClF3N2O — CID 60790795

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1cccnc1Cl
InChIInChI=1S/C13H7BrClF3N2O/c14-7-3-4-10(9(6-7)13(16,17)18)20-12(21)8-2-1-5-19-11(8)15/h1-6H,(H,20,21)
InChIKeyGTNHTXOYJKWAOO-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

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

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide (PubChem CID 60790795) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
PubChem CID60790795
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1cccnc1Cl
InChIInChI=1S/C13H7BrClF3N2O/c14-7-3-4-10(9(6-7)13(16,17)18)20-12(21)8-2-1-5-19-11(8)15/h1-6H,(H,20,21)
InChIKeyGTNHTXOYJKWAOO-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

N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
CID 121379869
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide (CID 60790795) is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cccnc1Cl.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide?
The InChIKey is GTNHTXOYJKWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-7-3-4-10(9(6-7)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 N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-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 N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 60790795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).