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

C13H9Cl3N2O2 — CID 579068

IUPAC2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-13(19)11-9(14)6-10(15)18-12(11)16/h2-6H,1H3,(H,17,19)
InChIKeyGLRCZMQIMXLVEE-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.30
Rot. Bonds3

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

2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 579068) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID579068
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)cc1
InChIInChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-13(19)11-9(14)6-10(15)18-12(11)16/h2-6H,1H3,(H,17,19)
InChIKeyGLRCZMQIMXLVEE-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.30
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 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 579068) is 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)cc1.
What is the InChIKey of 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GLRCZMQIMXLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c1-20-8-4-2-7(3-5-8)17-13(19)11-9(14)6-10(15)18-12(11)16/h2-6H,1H3,(H,17,19).
What are the key properties of 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide?
2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 331.59 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 579068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).