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

C14H10Cl4N2O3 — CID 1046217

IUPAC2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl4N2O3/c1-22-6-3-4-8(23-2)7(5-6)19-14(21)9-10(15)11(16)13(18)20-12(9)17/h3-5H,1-2H3,(H,19,21)
InChIKeyHCFWKAMIUJSVAT-UHFFFAOYSA-N
MW396.06 g/mol
LogP4.96
Rot. Bonds4

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

2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 1046217) has the molecular formula C14H10Cl4N2O3 and a molecular weight of 396.06 g/mol. Its IUPAC name is 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID1046217
Molecular FormulaC14H10Cl4N2O3
Molecular Weight396.06 g/mol
Exact Mass393.94
IUPAC Name2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl4N2O3/c1-22-6-3-4-8(23-2)7(5-6)19-14(21)9-10(15)11(16)13(18)20-12(9)17/h3-5H,1-2H3,(H,19,21)
InChIKeyHCFWKAMIUJSVAT-UHFFFAOYSA-N
XLogP4.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
2,6-dichloro-N-[(3-methoxyphenyl)carbamoyl]-4-methylpyridine-3-carboxamide
CID 1265401
2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 1044959
6-Chloro-N-(3-methoxyphenyl)nicotinamide
CID 18419424
2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 579068
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 673519
2,6-dichloro-N-(4-methoxyphenyl)-4-methylpyridine-3-carboxamide
CID 685922
2,5-dichloro-N-(3-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 778134
Ethyl 2,5,6-trichloro-4-[(4-methoxyphenyl)amino]pyridine-3-carboxylate
CID 1044255
2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 34753478
2,6-dichloro-5-fluoro-N-(3-methoxyphenyl)nicotinamide
CID 850419
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 1046217) is 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is HCFWKAMIUJSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O3/c1-22-6-3-4-8(23-2)7(5-6)19-14(21)9-10(15)11(16)13(18)20-12(9)17/h3-5H,1-2H3,(H,19,21).
What are the key properties of 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 396.06 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1046217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).