2-(2-iodophenoxy)-5-methyl-4-nitropyridine

C12H9IN2O3 — CID 83269728

IUPAC2-(2-iodophenoxy)-5-methyl-4-nitropyridine
SMILESCc1cnc(Oc2ccccc2I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-7-14-12(6-10(8)15(16)17)18-11-5-3-2-4-9(11)13/h2-7H,1H3
InChIKeyOBODBZYEVQPKQW-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-iodophenoxy)-5-methyl-4-nitropyridine

2-(2-iodophenoxy)-5-methyl-4-nitropyridine (PubChem CID 83269728) has the molecular formula C12H9IN2O3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-5-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-(2-iodophenoxy)-5-methyl-4-nitropyridine
PubChem CID83269728
Molecular FormulaC12H9IN2O3
Molecular Weight356.12 g/mol
Exact Mass355.97
IUPAC Name2-(2-iodophenoxy)-5-methyl-4-nitropyridine
SMILESCc1cnc(Oc2ccccc2I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-7-14-12(6-10(8)15(16)17)18-11-5-3-2-4-9(11)13/h2-7H,1H3
InChIKeyOBODBZYEVQPKQW-UHFFFAOYSA-N
XLogP3.70
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

6-(2-iodophenoxy)-2-methyl-3-nitropyridine
CID 80718939
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
2-(2-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131791
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
3-(2-iodophenoxy)-5-methylpyridazine
CID 106549372
4-bromo-2-(2-iodophenoxy)-1-nitrobenzene
CID 65341768
2-(2-iodophenoxy)-5-nitropyridine-3-carboxylic acid
CID 104629516
5-nitro-2,4-diphenoxypyridine
CID 139217922
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-5-methyl-4-nitropyridine?
The IUPAC name of 2-(2-iodophenoxy)-5-methyl-4-nitropyridine (CID 83269728) is 2-(2-iodophenoxy)-5-methyl-4-nitropyridine.
What is the SMILES notation for 2-(2-iodophenoxy)-5-methyl-4-nitropyridine?
The canonical SMILES for 2-(2-iodophenoxy)-5-methyl-4-nitropyridine is Cc1cnc(Oc2ccccc2I)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-iodophenoxy)-5-methyl-4-nitropyridine?
The InChIKey is OBODBZYEVQPKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3/c1-8-7-14-12(6-10(8)15(16)17)18-11-5-3-2-4-9(11)13/h2-7H,1H3.
What are the key properties of 2-(2-iodophenoxy)-5-methyl-4-nitropyridine?
2-(2-iodophenoxy)-5-methyl-4-nitropyridine has a molecular weight of 356.12 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-5-methyl-4-nitropyridine is sourced from PubChem (CID 83269728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).