2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide

C12H5Cl5N2O — CID 43343719

IUPAC2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H5Cl5N2O/c13-6-3-7(14)11(8(15)4-6)19-12(20)5-1-9(16)18-10(17)2-5/h1-4H,(H,19,20)
InChIKeyCEOYJWJTRLWZJU-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.60
Rot. Bonds2

About 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide

2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide (PubChem CID 43343719) has the molecular formula C12H5Cl5N2O and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
PubChem CID43343719
Molecular FormulaC12H5Cl5N2O
Molecular Weight370.45 g/mol
Exact Mass367.88
IUPAC Name2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H5Cl5N2O/c13-6-3-7(14)11(8(15)4-6)19-12(20)5-1-9(16)18-10(17)2-5/h1-4H,(H,19,20)
InChIKeyCEOYJWJTRLWZJU-UHFFFAOYSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.60
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

2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
CID 108792603
2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
CID 167943386
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide (CID 43343719) is 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide?
The InChIKey is CEOYJWJTRLWZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5N2O/c13-6-3-7(14)11(8(15)4-6)19-12(20)5-1-9(16)18-10(17)2-5/h1-4H,(H,19,20).
What are the key properties of 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 43343719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).