N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide

C12H6BrCl2FN2O — CID 103753494

IUPACN-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-8-3-1-6(16)5-9(8)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19)
InChIKeyUBAONTSJRWKONJ-UHFFFAOYSA-N
MW364.00 g/mol
LogP4.54
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide

N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 103753494) has the molecular formula C12H6BrCl2FN2O and a molecular weight of 364.00 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID103753494
Molecular FormulaC12H6BrCl2FN2O
Molecular Weight364.00 g/mol
Exact Mass361.90
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-8-3-1-6(16)5-9(8)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19)
InChIKeyUBAONTSJRWKONJ-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.00
LogP ≤ 54.54
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-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide (CID 103753494) is N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is UBAONTSJRWKONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O/c13-8-3-1-6(16)5-9(8)17-12(19)7-2-4-10(14)18-11(7)15/h1-5H,(H,17,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide?
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 364.00 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 103753494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).