2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide

C13H10ClIN2O — CID 1347930

IUPAC2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(I)ccc2Cl)n1
InChIInChI=1S/C13H10ClIN2O/c1-8-3-2-4-12(16-8)17-13(18)10-7-9(15)5-6-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyXUAVWLUTLIWTLM-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide

2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 1347930) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID1347930
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(I)ccc2Cl)n1
InChIInChI=1S/C13H10ClIN2O/c1-8-3-2-4-12(16-8)17-13(18)10-7-9(15)5-6-11(10)14/h2-7H,1H3,(H,16,17,18)
InChIKeyXUAVWLUTLIWTLM-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

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
tert-butyl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303364
propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303117
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide (CID 1347930) is 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(I)ccc2Cl)n1.
What is the InChIKey of 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is XUAVWLUTLIWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c1-8-3-2-4-12(16-8)17-13(18)10-7-9(15)5-6-11(10)14/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide?
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide 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 2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1347930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).