6-chloro-2-(2-iodophenoxy)-3-nitropyridine

C11H6ClIN2O3 — CID 54915226

IUPAC6-chloro-2-(2-iodophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1I
InChIInChI=1S/C11H6ClIN2O3/c12-10-6-5-8(15(16)17)11(14-10)18-9-4-2-1-3-7(9)13/h1-6H
InChIKeyNJHCEVSMTDIWPR-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-2-(2-iodophenoxy)-3-nitropyridine

6-chloro-2-(2-iodophenoxy)-3-nitropyridine (PubChem CID 54915226) has the molecular formula C11H6ClIN2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 6-chloro-2-(2-iodophenoxy)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(2-iodophenoxy)-3-nitropyridine
PubChem CID54915226
Molecular FormulaC11H6ClIN2O3
Molecular Weight376.54 g/mol
Exact Mass375.91
IUPAC Name6-chloro-2-(2-iodophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1I
InChIInChI=1S/C11H6ClIN2O3/c12-10-6-5-8(15(16)17)11(14-10)18-9-4-2-1-3-7(9)13/h1-6H
InChIKeyNJHCEVSMTDIWPR-UHFFFAOYSA-N
XLogP4.04
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
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

2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
methyl 6-(2-iodophenoxy)-5-nitropyridine-2-carboxylate
CID 114403235
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
6-(2-iodophenoxy)-2-methyl-3-nitropyridine
CID 80718939
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-2-iodo-3-nitropyridine
CID 130882718
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-iodophenoxy)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(2-iodophenoxy)-3-nitropyridine (CID 54915226) is 6-chloro-2-(2-iodophenoxy)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(2-iodophenoxy)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(2-iodophenoxy)-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1I.
What is the InChIKey of 6-chloro-2-(2-iodophenoxy)-3-nitropyridine?
The InChIKey is NJHCEVSMTDIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O3/c12-10-6-5-8(15(16)17)11(14-10)18-9-4-2-1-3-7(9)13/h1-6H.
What are the key properties of 6-chloro-2-(2-iodophenoxy)-3-nitropyridine?
6-chloro-2-(2-iodophenoxy)-3-nitropyridine has a molecular weight of 376.54 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-iodophenoxy)-3-nitropyridine is sourced from PubChem (CID 54915226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).