5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide

C12H5BrCl3FN2O — CID 82889174

IUPAC5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H5BrCl3FN2O/c13-5-1-7(11(16)18-4-5)12(20)19-10-8(14)2-6(17)3-9(10)15/h1-4H,(H,19,20)
InChIKeyGSAIFILUPRNFNY-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.20
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 82889174) has the molecular formula C12H5BrCl3FN2O and a molecular weight of 398.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
PubChem CID82889174
Molecular FormulaC12H5BrCl3FN2O
Molecular Weight398.45 g/mol
Exact Mass395.86
IUPAC Name5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H5BrCl3FN2O/c13-5-1-7(11(16)18-4-5)12(20)19-10-8(14)2-6(17)3-9(10)15/h1-4H,(H,19,20)
InChIKeyGSAIFILUPRNFNY-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

5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 171834809
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-bromo-2-chloro-N-(1,2,4-triazin-3-yl)pyridine-3-carboxamide
CID 114387334
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide (CID 82889174) is 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Cl)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GSAIFILUPRNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl3FN2O/c13-5-1-7(11(16)18-4-5)12(20)19-10-8(14)2-6(17)3-9(10)15/h1-4H,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-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 5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 82889174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).