3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine

C22H14N4O6S2 — CID 618978

IUPAC3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccccc1SSc1ccccc1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O6S2/c27-25(28)15-7-5-13-23-21(15)31-17-9-1-3-11-19(17)33-34-20-12-4-2-10-18(20)32-22-16(26(29)30)8-6-14-24-22/h1-14H
InChIKeyWRYPMTFZYZCRBA-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.68
Rot. Bonds9

About 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine

3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine (PubChem CID 618978) has the molecular formula C22H14N4O6S2 and a molecular weight of 494.51 g/mol. Its IUPAC name is 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine.

Molecular Properties

Compound Name3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
PubChem CID618978
Molecular FormulaC22H14N4O6S2
Molecular Weight494.51 g/mol
Exact Mass494.04
IUPAC Name3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccccc1SSc1ccccc1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O6S2/c27-25(28)15-7-5-13-23-21(15)31-17-9-1-3-11-19(17)33-34-20-12-4-2-10-18(20)32-22-16(26(29)30)8-6-14-24-22/h1-14H
InChIKeyWRYPMTFZYZCRBA-UHFFFAOYSA-N
XLogP6.68
TPSA130.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
1-[2-[[2-(2,3-dinitrophenoxy)phenyl]disulfanyl]phenoxy]-2,3-dinitrobenzene
CID 87179258
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane
CID 68532997
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine?
The IUPAC name of 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine (CID 618978) is 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine.
What is the SMILES notation for 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine?
The canonical SMILES for 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine is O=[N+]([O-])c1cccnc1Oc1ccccc1SSc1ccccc1Oc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine?
The InChIKey is WRYPMTFZYZCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O6S2/c27-25(28)15-7-5-13-23-21(15)31-17-9-1-3-11-19(17)33-34-20-12-4-2-10-18(20)32-22-16(26(29)30)8-6-14-24-22/h1-14H.
What are the key properties of 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine?
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine has a molecular weight of 494.51 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine is sourced from PubChem (CID 618978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).