4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide

C13H8ClI3N2O — CID 81226665

IUPAC4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2c(I)cc(I)cc2I)cn1
InChIInChI=1S/C13H8ClI3N2O/c1-6-2-9(14)8(5-18-6)13(20)19-12-10(16)3-7(15)4-11(12)17/h2-5H,1H3,(H,19,20)
InChIKeyWZVWNHOXCRQQFA-UHFFFAOYSA-N
MW624.38 g/mol
LogP5.11
Rot. Bonds2

About 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide (PubChem CID 81226665) has the molecular formula C13H8ClI3N2O and a molecular weight of 624.38 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
PubChem CID81226665
Molecular FormulaC13H8ClI3N2O
Molecular Weight624.38 g/mol
Exact Mass623.75
IUPAC Name4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2c(I)cc(I)cc2I)cn1
InChIInChI=1S/C13H8ClI3N2O/c1-6-2-9(14)8(5-18-6)13(20)19-12-10(16)3-7(15)4-11(12)17/h2-5H,1H3,(H,19,20)
InChIKeyWZVWNHOXCRQQFA-UHFFFAOYSA-N
XLogP5.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.38
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide (CID 81226665) is 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2c(I)cc(I)cc2I)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide?
The InChIKey is WZVWNHOXCRQQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClI3N2O/c1-6-2-9(14)8(5-18-6)13(20)19-12-10(16)3-7(15)4-11(12)17/h2-5H,1H3,(H,19,20).
What are the key properties of 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide has a molecular weight of 624.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(2,4,6-triiodophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).