3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine

C12H9FN2O3 — CID 22010197

IUPAC3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C12H9FN2O3/c13-11-6-10(3-4-12(11)15(16)17)18-8-9-2-1-5-14-7-9/h1-7H,8H2
InChIKeyAFMZEAQHOJNKTJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.71
Rot. Bonds4

About 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine

3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine (PubChem CID 22010197) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
PubChem CID22010197
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C12H9FN2O3/c13-11-6-10(3-4-12(11)15(16)17)18-8-9-2-1-5-14-7-9/h1-7H,8H2
InChIKeyAFMZEAQHOJNKTJ-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
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202970
3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 79022162
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
N-methyl-1-[4-nitro-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 62116914
3-[(3-fluoro-5-nitrophenyl)methoxy]pyridine
CID 112649453

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine (CID 22010197) is 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(OCc2cccnc2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is AFMZEAQHOJNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-11-6-10(3-4-12(11)15(16)17)18-8-9-2-1-5-14-7-9/h1-7H,8H2.
What are the key properties of 3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine?
3-[(3-fluoro-4-nitrophenoxy)methyl]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-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 22010197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).