3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine

C12H8FN3O5 — CID 107348669

IUPAC3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1cccc(COc2cccnc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H8FN3O5/c13-11-8(3-1-4-9(11)15(17)18)7-21-10-5-2-6-14-12(10)16(19)20/h1-6H,7H2
InChIKeyXMRWGTSWBMAXSF-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.62
Rot. Bonds5

About 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine

3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine (PubChem CID 107348669) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine.

Molecular Properties

Compound Name3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
PubChem CID107348669
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC Name3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1cccc(COc2cccnc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H8FN3O5/c13-11-8(3-1-4-9(11)15(17)18)7-21-10-5-2-6-14-12(10)16(19)20/h1-6H,7H2
InChIKeyXMRWGTSWBMAXSF-UHFFFAOYSA-N
XLogP2.62
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107348702
N-[2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]formamide
CID 14368404
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine?
The IUPAC name of 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine (CID 107348669) is 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine.
What is the SMILES notation for 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine?
The canonical SMILES for 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine is O=[N+]([O-])c1cccc(COc2cccnc2[N+](=O)[O-])c1F.
What is the InChIKey of 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine?
The InChIKey is XMRWGTSWBMAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c13-11-8(3-1-4-9(11)15(17)18)7-21-10-5-2-6-14-12(10)16(19)20/h1-6H,7H2.
What are the key properties of 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine?
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine has a molecular weight of 293.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine is sourced from PubChem (CID 107348669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).