3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine

C12H9FN2O3 — CID 112649453

IUPAC3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1cc(F)cc(COc2cccnc2)c1
InChIInChI=1S/C12H9FN2O3/c13-10-4-9(5-11(6-10)15(16)17)8-18-12-2-1-3-14-7-12/h1-7H,8H2
InChIKeyIGQZDDLKQSBJHX-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.71
Rot. Bonds4

About 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine

3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine (PubChem CID 112649453) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
PubChem CID112649453
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1cc(F)cc(COc2cccnc2)c1
InChIInChI=1S/C12H9FN2O3/c13-10-4-9(5-11(6-10)15(16)17)8-18-12-2-1-3-14-7-12/h1-7H,8H2
InChIKeyIGQZDDLKQSBJHX-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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Related Compounds

3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
CID 112558785
3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine?
The IUPAC name of 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine (CID 112649453) is 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1cc(F)cc(COc2cccnc2)c1.
What is the InChIKey of 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine?
The InChIKey is IGQZDDLKQSBJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-10-4-9(5-11(6-10)15(16)17)8-18-12-2-1-3-14-7-12/h1-7H,8H2.
What are the key properties of 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine?
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine 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 3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 112649453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).