5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide

C12H5Cl5N2O — CID 27687750

IUPAC5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl5N2O/c13-6-2-8(15)10(3-7(6)14)19-12(20)5-1-9(16)11(17)18-4-5/h1-4H,(H,19,20)
InChIKeyIYBSJMNIVQHCOT-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.60
Rot. Bonds2

About 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide

5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide (PubChem CID 27687750) has the molecular formula C12H5Cl5N2O and a molecular weight of 370.45 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
PubChem CID27687750
Molecular FormulaC12H5Cl5N2O
Molecular Weight370.45 g/mol
Exact Mass367.88
IUPAC Name5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl5N2O/c13-6-2-8(15)10(3-7(6)14)19-12(20)5-1-9(16)11(17)18-4-5/h1-4H,(H,19,20)
InChIKeyIYBSJMNIVQHCOT-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-chloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 62151288
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
4-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881402
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide (CID 27687750) is 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide?
The InChIKey is IYBSJMNIVQHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5N2O/c13-6-2-8(15)10(3-7(6)14)19-12(20)5-1-9(16)11(17)18-4-5/h1-4H,(H,19,20).
What are the key properties of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2,4,5-trichlorophenyl)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 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 27687750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).