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

C13H8Cl4N2O2 — CID 1044959

IUPAC2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2/c1-21-7-5-3-2-4-6(7)18-13(20)8-9(14)10(15)12(17)19-11(8)16/h2-5H,1H3,(H,18,20)
InChIKeyZCJUZBMBLZTJSI-UHFFFAOYSA-N
MW366.03 g/mol
LogP4.96
Rot. Bonds3

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

2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 1044959) has the molecular formula C13H8Cl4N2O2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID1044959
Molecular FormulaC13H8Cl4N2O2
Molecular Weight366.03 g/mol
Exact Mass363.93
IUPAC Name2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2/c1-21-7-5-3-2-4-6(7)18-13(20)8-9(14)10(15)12(17)19-11(8)16/h2-5H,1H3,(H,18,20)
InChIKeyZCJUZBMBLZTJSI-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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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 1044959) is 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1NC(=O)c1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is ZCJUZBMBLZTJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O2/c1-21-7-5-3-2-4-6(7)18-13(20)8-9(14)10(15)12(17)19-11(8)16/h2-5H,1H3,(H,18,20).
What are the key properties of 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-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 2,4,5,6-tetrachloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1044959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).