2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide

C13H9Cl2IN2O — CID 26781715

IUPAC2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1I
InChIInChI=1S/C13H9Cl2IN2O/c1-7-2-3-9(6-10(7)16)17-13(19)8-4-11(14)18-12(15)5-8/h2-6H,1H3,(H,17,19)
InChIKeyOSFVQEZQPZAULU-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.55
Rot. Bonds2

About 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide (PubChem CID 26781715) has the molecular formula C13H9Cl2IN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
PubChem CID26781715
Molecular FormulaC13H9Cl2IN2O
Molecular Weight407.04 g/mol
Exact Mass405.91
IUPAC Name2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1I
InChIInChI=1S/C13H9Cl2IN2O/c1-7-2-3-9(6-10(7)16)17-13(19)8-4-11(14)18-12(15)5-8/h2-6H,1H3,(H,17,19)
InChIKeyOSFVQEZQPZAULU-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
CID 158279059
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide (CID 26781715) is 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1I.
What is the InChIKey of 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide?
The InChIKey is OSFVQEZQPZAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IN2O/c1-7-2-3-9(6-10(7)16)17-13(19)8-4-11(14)18-12(15)5-8/h2-6H,1H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide has a molecular weight of 407.04 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 26781715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).