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

C13H8Cl4N2O2 — CID 26086305

IUPAC3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C13H8Cl4N2O2/c1-21-7-4-2-6(3-5-7)18-13(20)11-9(15)8(14)10(16)12(17)19-11/h2-5H,1H3,(H,18,20)
InChIKeyVFDOYSDYUDSSDR-UHFFFAOYSA-N
MW366.03 g/mol
LogP4.96
Rot. Bonds3

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

3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 26086305) has the molecular formula C13H8Cl4N2O2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID26086305
Molecular FormulaC13H8Cl4N2O2
Molecular Weight366.03 g/mol
Exact Mass363.93
IUPAC Name3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1
InChIInChI=1S/C13H8Cl4N2O2/c1-21-7-4-2-6(3-5-7)18-13(20)11-9(15)8(14)10(16)12(17)19-11/h2-5H,1H3,(H,18,20)
InChIKeyVFDOYSDYUDSSDR-UHFFFAOYSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,6-tetrachloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 18281458
3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 26522722
3,4,5,6-tetrachloro-N-[4-(cyanomethyl)phenyl]pyridine-2-carboxamide
CID 60599154
3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 27906964
2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862032
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 18270916
3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]pyridine-2-carboxamide
CID 46568178
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 16551770
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
[2-(4-methoxyphenyl)-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7277838
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide (CID 26086305) is 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is VFDOYSDYUDSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O2/c1-21-7-4-2-6(3-5-7)18-13(20)11-9(15)8(14)10(16)12(17)19-11/h2-5H,1H3,(H,18,20).
What are the key properties of 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 366.03 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26086305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).