4-[(4-fluorophenyl)methoxy]-3-nitropyridine

C12H9FN2O3 — CID 68703416

IUPAC4-[(4-fluorophenyl)methoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1OCc1ccc(F)cc1
InChIInChI=1S/C12H9FN2O3/c13-10-3-1-9(2-4-10)8-18-12-5-6-14-7-11(12)15(16)17/h1-7H,8H2
InChIKeyIHPUKWONKZIGLM-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.71
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-3-nitropyridine

4-[(4-fluorophenyl)methoxy]-3-nitropyridine (PubChem CID 68703416) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-3-nitropyridine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-3-nitropyridine
PubChem CID68703416
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name4-[(4-fluorophenyl)methoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1OCc1ccc(F)cc1
InChIInChI=1S/C12H9FN2O3/c13-10-3-1-9(2-4-10)8-18-12-5-6-14-7-11(12)15(16)17/h1-7H,8H2
InChIKeyIHPUKWONKZIGLM-UHFFFAOYSA-N
XLogP2.71
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.71
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-[(4-fluorophenyl)methoxy]-3-nitropyridine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-3-nitropyridine (CID 68703416) is 4-[(4-fluorophenyl)methoxy]-3-nitropyridine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-3-nitropyridine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-3-nitropyridine is O=[N+]([O-])c1cnccc1OCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-3-nitropyridine?
The InChIKey is IHPUKWONKZIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-10-3-1-9(2-4-10)8-18-12-5-6-14-7-11(12)15(16)17/h1-7H,8H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-3-nitropyridine?
4-[(4-fluorophenyl)methoxy]-3-nitropyridine has a molecular weight of 248.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-3-nitropyridine is sourced from PubChem (CID 68703416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).