5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine

C22H16F2N4O4 — CID 174492692

IUPAC5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
SMILESNc1ccc(Oc2ccccc2F)cn1.O=[N+]([O-])c1ccc(Oc2ccccc2F)cn1
InChIInChI=1S/C11H7FN2O3.C11H9FN2O/c12-9-3-1-2-4-10(9)17-8-5-6-11(13-7-8)14(15)16;12-9-3-1-2-4-10(9)15-8-5-6-11(13)14-7-8/h1-7H;1-7H,(H2,13,14)
InChIKeyLUJZOFNZGYVIMT-UHFFFAOYSA-N
MW438.39 g/mol
LogP5.52
Rot. Bonds5

About 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine

5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine (PubChem CID 174492692) has the molecular formula C22H16F2N4O4 and a molecular weight of 438.39 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
PubChem CID174492692
Molecular FormulaC22H16F2N4O4
Molecular Weight438.39 g/mol
Exact Mass438.11
IUPAC Name5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
SMILESNc1ccc(Oc2ccccc2F)cn1.O=[N+]([O-])c1ccc(Oc2ccccc2F)cn1
InChIInChI=1S/C11H7FN2O3.C11H9FN2O/c12-9-3-1-2-4-10(9)17-8-5-6-11(13-7-8)14(15)16;12-9-3-1-2-4-10(9)15-8-5-6-11(13)14-7-8/h1-7H;1-7H,(H2,13,14)
InChIKeyLUJZOFNZGYVIMT-UHFFFAOYSA-N
XLogP5.52
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.39
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-(2-fluorophenoxy)-6-[(6-nitro-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-benzimidazole
CID 23145462
5-[[2-(benzhydrylideneamino)-4-pyridinyl]oxy]pyridin-2-amine;N-[4-[(6-nitro-3-pyridinyl)oxy]-2-pyridinyl]-1,1-diphenylmethanimine
CID 167533791
methyl 4-fluoro-2-[(6-nitro-3-pyridinyl)oxy]benzoate
CID 67226297
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
3-(3-fluoro-2-nitrophenoxy)quinoline
CID 107387070
2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 145332594
3-(2-fluorophenoxy)-2-nitroaniline
CID 80864284
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
4-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-(2-fluorophenoxy)benzene-1,2-diamine
CID 23145595

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine?
The IUPAC name of 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine (CID 174492692) is 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine is Nc1ccc(Oc2ccccc2F)cn1.O=[N+]([O-])c1ccc(Oc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine?
The InChIKey is LUJZOFNZGYVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3.C11H9FN2O/c12-9-3-1-2-4-10(9)17-8-5-6-11(13-7-8)14(15)16;12-9-3-1-2-4-10(9)15-8-5-6-11(13)14-7-8/h1-7H;1-7H,(H2,13,14).
What are the key properties of 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine?
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine has a molecular weight of 438.39 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine is sourced from PubChem (CID 174492692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).