6-(4-iodophenoxy)-2-methyl-3-nitropyridine

C12H9IN2O3 — CID 80719025

IUPAC6-(4-iodophenoxy)-2-methyl-3-nitropyridine
SMILESCc1nc(Oc2ccc(I)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-11(15(16)17)6-7-12(14-8)18-10-4-2-9(13)3-5-10/h2-7H,1H3
InChIKeySJYIQXCHEBMUDH-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.70
Rot. Bonds3

About 6-(4-iodophenoxy)-2-methyl-3-nitropyridine

6-(4-iodophenoxy)-2-methyl-3-nitropyridine (PubChem CID 80719025) has the molecular formula C12H9IN2O3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 6-(4-iodophenoxy)-2-methyl-3-nitropyridine.

Molecular Properties

Compound Name6-(4-iodophenoxy)-2-methyl-3-nitropyridine
PubChem CID80719025
Molecular FormulaC12H9IN2O3
Molecular Weight356.12 g/mol
Exact Mass355.97
IUPAC Name6-(4-iodophenoxy)-2-methyl-3-nitropyridine
SMILESCc1nc(Oc2ccc(I)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9IN2O3/c1-8-11(15(16)17)6-7-12(14-8)18-10-4-2-9(13)3-5-10/h2-7H,1H3
InChIKeySJYIQXCHEBMUDH-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-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
CID 133486366
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
CID 133476968
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
CID 155268546
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
3-(4-iodophenoxy)-1-methyl-4-nitropyrazole
CID 103079501
2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
CID 66883552
6-(4-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499923
1-bromo-2-(4-iodophenoxy)-4-methyl-5-nitrobenzene
CID 114048058
ethyl 2-[4-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2-(trifluoromethyl)anilino]acetate
CID 143481972
2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
CID 102954630

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)-2-methyl-3-nitropyridine?
The IUPAC name of 6-(4-iodophenoxy)-2-methyl-3-nitropyridine (CID 80719025) is 6-(4-iodophenoxy)-2-methyl-3-nitropyridine.
What is the SMILES notation for 6-(4-iodophenoxy)-2-methyl-3-nitropyridine?
The canonical SMILES for 6-(4-iodophenoxy)-2-methyl-3-nitropyridine is Cc1nc(Oc2ccc(I)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(4-iodophenoxy)-2-methyl-3-nitropyridine?
The InChIKey is SJYIQXCHEBMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3/c1-8-11(15(16)17)6-7-12(14-8)18-10-4-2-9(13)3-5-10/h2-7H,1H3.
What are the key properties of 6-(4-iodophenoxy)-2-methyl-3-nitropyridine?
6-(4-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-(4-iodophenoxy)-2-methyl-3-nitropyridine is sourced from PubChem (CID 80719025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).