2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide

C12H5Cl5N2O — CID 4656022

IUPAC2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5N2O/c13-5-1-3-6(4-2-5)18-12(20)7-8(14)9(15)11(17)19-10(7)16/h1-4H,(H,18,20)
InChIKeyLMJYKZGUSNOPFO-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.60
Rot. Bonds2

About 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide

2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide (PubChem CID 4656022) has the molecular formula C12H5Cl5N2O and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
PubChem CID4656022
Molecular FormulaC12H5Cl5N2O
Molecular Weight370.45 g/mol
Exact Mass367.88
IUPAC Name2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5N2O/c13-5-1-3-6(4-2-5)18-12(20)7-8(14)9(15)11(17)19-10(7)16/h1-4H,(H,18,20)
InChIKeyLMJYKZGUSNOPFO-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-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
2,3,6-trichloro-N-(4-chlorophenyl)benzamide
CID 19171109
2,4-dichloro-N-phenylquinoline-3-carboxamide
CID 2786668
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
CID 16659765
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
CID 59618586
N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135493467
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide (CID 4656022) is 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is LMJYKZGUSNOPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5N2O/c13-5-1-3-6(4-2-5)18-12(20)7-8(14)9(15)11(17)19-10(7)16/h1-4H,(H,18,20).
What are the key properties of 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide?
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-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 2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).