N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide

C13H7BrF4N2O — CID 63971624

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc(F)nc1
InChIInChI=1S/C13H7BrF4N2O/c14-8-2-3-10(9(5-8)13(16,17)18)20-12(21)7-1-4-11(15)19-6-7/h1-6H,(H,20,21)
InChIKeyWBDWTBLRUDJACG-UHFFFAOYSA-N
MW363.11 g/mol
LogP4.25
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide (PubChem CID 63971624) has the molecular formula C13H7BrF4N2O and a molecular weight of 363.11 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
PubChem CID63971624
Molecular FormulaC13H7BrF4N2O
Molecular Weight363.11 g/mol
Exact Mass361.97
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc(F)nc1
InChIInChI=1S/C13H7BrF4N2O/c14-8-2-3-10(9(5-8)13(16,17)18)20-12(21)7-1-4-11(15)19-6-7/h1-6H,(H,20,21)
InChIKeyWBDWTBLRUDJACG-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 54.25
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

5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
N-(4-bromo-2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 178180304
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide (CID 63971624) is N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc(F)nc1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is WBDWTBLRUDJACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4N2O/c14-8-2-3-10(9(5-8)13(16,17)18)20-12(21)7-1-4-11(15)19-6-7/h1-6H,(H,20,21).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 363.11 g/mol, XLogP of 4.25, 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]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63971624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).