5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine

C22H14N4O6 — CID 2798975

IUPAC5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)cc2)nc1
InChIInChI=1S/C22H14N4O6/c27-25(28)17-5-11-21(23-13-17)31-19-7-1-15(2-8-19)16-3-9-20(10-4-16)32-22-12-6-18(14-24-22)26(29)30/h1-14H
InChIKeyXSSHSOFDSFGMJQ-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.54
Rot. Bonds7

About 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine (PubChem CID 2798975) has the molecular formula C22H14N4O6 and a molecular weight of 430.38 g/mol. Its IUPAC name is 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine.

Molecular Properties

Compound Name5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
PubChem CID2798975
Molecular FormulaC22H14N4O6
Molecular Weight430.38 g/mol
Exact Mass430.09
IUPAC Name5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)cc2)nc1
InChIInChI=1S/C22H14N4O6/c27-25(28)17-5-11-21(23-13-17)31-19-7-1-15(2-8-19)16-3-9-20(10-4-16)32-22-12-6-18(14-24-22)26(29)30/h1-14H
InChIKeyXSSHSOFDSFGMJQ-UHFFFAOYSA-N
XLogP5.54
TPSA130.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
CID 175203508
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]-5-nitropyridine
CID 132567219
5-nitro-2-pyridin-1-ium-3-yloxypyridine
CID 5105142
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
CID 44887432
5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3984250
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine?
The IUPAC name of 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine (CID 2798975) is 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine.
What is the SMILES notation for 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine?
The canonical SMILES for 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine is O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)cc2)nc1.
What is the InChIKey of 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine?
The InChIKey is XSSHSOFDSFGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O6/c27-25(28)17-5-11-21(23-13-17)31-19-7-1-15(2-8-19)16-3-9-20(10-4-16)32-22-12-6-18(14-24-22)26(29)30/h1-14H.
What are the key properties of 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine?
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine has a molecular weight of 430.38 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine is sourced from PubChem (CID 2798975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).