N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide

C12H7ClIN3O3 — CID 104820266

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1I
InChIInChI=1S/C12H7ClIN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18)
InChIKeyBBXKZHMTAQJOQS-UHFFFAOYSA-N
MW403.56 g/mol
LogP3.50
Rot. Bonds3

About N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide

N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide (PubChem CID 104820266) has the molecular formula C12H7ClIN3O3 and a molecular weight of 403.56 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
PubChem CID104820266
Molecular FormulaC12H7ClIN3O3
Molecular Weight403.56 g/mol
Exact Mass402.92
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1I
InChIInChI=1S/C12H7ClIN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18)
InChIKeyBBXKZHMTAQJOQS-UHFFFAOYSA-N
XLogP3.50
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 104820409
N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide
CID 104820263

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide (CID 104820266) is N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1I.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide?
The InChIKey is BBXKZHMTAQJOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClIN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide has a molecular weight of 403.56 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 104820266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).