3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine

C13H11FN2O3 — CID 59287319

IUPAC3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)n1
InChIInChI=1S/C13H11FN2O3/c1-8-3-5-12(9(2)15-8)19-13-6-4-10(16(17)18)7-11(13)14/h3-7H,1-2H3
InChIKeyUGLJCNCIOJXTJI-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.54
Rot. Bonds3

About 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine

3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine (PubChem CID 59287319) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine
PubChem CID59287319
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)n1
InChIInChI=1S/C13H11FN2O3/c1-8-3-5-12(9(2)15-8)19-13-6-4-10(16(17)18)7-11(13)14/h3-7H,1-2H3
InChIKeyUGLJCNCIOJXTJI-UHFFFAOYSA-N
XLogP3.54
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine (CID 59287319) is 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(C)n1.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine?
The InChIKey is UGLJCNCIOJXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-3-5-12(9(2)15-8)19-13-6-4-10(16(17)18)7-11(13)14/h3-7H,1-2H3.
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine?
3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine has a molecular weight of 262.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)-2,6-dimethylpyridine is sourced from PubChem (CID 59287319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).