5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide

C13H10ClIN2O — CID 113238388

IUPAC5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cn2)cc1I
InChIInChI=1S/C13H10ClIN2O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,1H3,(H,17,18)
InChIKeyNXEOKHFITKZQHU-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide

5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 113238388) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
PubChem CID113238388
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cn2)cc1I
InChIInChI=1S/C13H10ClIN2O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,1H3,(H,17,18)
InChIKeyNXEOKHFITKZQHU-UHFFFAOYSA-N
XLogP3.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
2,6-dichloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide
CID 26781715
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
CID 103144520
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
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)-2-methylsulfanylpyrimidine-4-carboxamide
CID 36860018
2-chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide;2-chloropyridine-4-carboxylic acid
CID 158279059

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide (CID 113238388) is 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1I.
What is the InChIKey of 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NXEOKHFITKZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide?
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 372.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 113238388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).