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

C12H9IN2O3 — CID 80718939

IUPAC6-(2-iodophenoxy)-2-methyl-3-nitropyridine
SMILESCc1nc(Oc2ccccc2I)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-10(15(16)17)6-7-12(14-8)18-11-5-3-2-4-9(11)13/h2-7H,1H3
InChIKeyAHFBBMIIUSPOTF-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.70
Rot. Bonds3

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

6-(2-iodophenoxy)-2-methyl-3-nitropyridine (PubChem CID 80718939) has the molecular formula C12H9IN2O3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 6-(2-iodophenoxy)-2-methyl-3-nitropyridine.

Molecular Properties

Compound Name6-(2-iodophenoxy)-2-methyl-3-nitropyridine
PubChem CID80718939
Molecular FormulaC12H9IN2O3
Molecular Weight356.12 g/mol
Exact Mass355.97
IUPAC Name6-(2-iodophenoxy)-2-methyl-3-nitropyridine
SMILESCc1nc(Oc2ccccc2I)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-10(15(16)17)6-7-12(14-8)18-11-5-3-2-4-9(11)13/h2-7H,1H3
InChIKeyAHFBBMIIUSPOTF-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenoxy)-2-methyl-3-nitropyridine?
The IUPAC name of 6-(2-iodophenoxy)-2-methyl-3-nitropyridine (CID 80718939) is 6-(2-iodophenoxy)-2-methyl-3-nitropyridine.
What is the SMILES notation for 6-(2-iodophenoxy)-2-methyl-3-nitropyridine?
The canonical SMILES for 6-(2-iodophenoxy)-2-methyl-3-nitropyridine is Cc1nc(Oc2ccccc2I)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-iodophenoxy)-2-methyl-3-nitropyridine?
The InChIKey is AHFBBMIIUSPOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3/c1-8-10(15(16)17)6-7-12(14-8)18-11-5-3-2-4-9(11)13/h2-7H,1H3.
What are the key properties of 6-(2-iodophenoxy)-2-methyl-3-nitropyridine?
6-(2-iodophenoxy)-2-methyl-3-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 6-(2-iodophenoxy)-2-methyl-3-nitropyridine is sourced from PubChem (CID 80718939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).