N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide

C12H5BrCl3FN2O — CID 103867824

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H5BrCl3FN2O/c13-6-3-5(17)4-8(15)10(6)19-12(20)11-7(14)1-2-9(16)18-11/h1-4H,(H,19,20)
InChIKeyLIEYMZMOXURUIF-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.20
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide (PubChem CID 103867824) has the molecular formula C12H5BrCl3FN2O and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
PubChem CID103867824
Molecular FormulaC12H5BrCl3FN2O
Molecular Weight398.45 g/mol
Exact Mass395.86
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H5BrCl3FN2O/c13-6-3-5(17)4-8(15)10(6)19-12(20)11-7(14)1-2-9(16)18-11/h1-4H,(H,19,20)
InChIKeyLIEYMZMOXURUIF-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.20
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-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
N-(2-bromo-6-chloro-4-fluorophenyl)-5-chloro-2-hydroxybenzamide
CID 107470695
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide (CID 103867824) is N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide?
The InChIKey is LIEYMZMOXURUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl3FN2O/c13-6-3-5(17)4-8(15)10(6)19-12(20)11-7(14)1-2-9(16)18-11/h1-4H,(H,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 103867824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).