4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine

C19H15FN2O3 — CID 163214218

IUPAC4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine
SMILESCc1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C19H15FN2O3/c1-12-9-14(10-13(2)21-12)18-11-16(22(23)24)5-8-19(18)25-17-6-3-15(20)4-7-17/h3-11H,1-2H3
InChIKeyWSIGCOQLHGNVNN-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.21
Rot. Bonds4

About 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine

4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine (PubChem CID 163214218) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine
PubChem CID163214218
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine
SMILESCc1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C19H15FN2O3/c1-12-9-14(10-13(2)21-12)18-11-16(22(23)24)5-8-19(18)25-17-6-3-15(20)4-7-17/h3-11H,1-2H3
InChIKeyWSIGCOQLHGNVNN-UHFFFAOYSA-N
XLogP5.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.21
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 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine (CID 163214218) is 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine is Cc1cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine?
The InChIKey is WSIGCOQLHGNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-12-9-14(10-13(2)21-12)18-11-16(22(23)24)5-8-19(18)25-17-6-3-15(20)4-7-17/h3-11H,1-2H3.
What are the key properties of 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine?
4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine has a molecular weight of 338.34 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)-5-nitrophenyl]-2,6-dimethylpyridine is sourced from PubChem (CID 163214218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).