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

C22H14N4O5 — CID 175178315

IUPAC3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccccc1Oc1ccccc1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O5/c27-25(28)17-9-5-13-23-21(17)15-7-1-3-11-19(15)31-20-12-4-2-8-16(20)22-18(26(29)30)10-6-14-24-22/h1-14H
InChIKeyIUGNNHHSZLDCKL-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.42
Rot. Bonds6

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

3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine (PubChem CID 175178315) has the molecular formula C22H14N4O5 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
PubChem CID175178315
Molecular FormulaC22H14N4O5
Molecular Weight414.38 g/mol
Exact Mass414.10
IUPAC Name3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccccc1Oc1ccccc1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H14N4O5/c27-25(28)17-9-5-13-23-21(17)15-7-1-3-11-19(15)31-20-12-4-2-8-16(20)22-18(26(29)30)10-6-14-24-22/h1-14H
InChIKeyIUGNNHHSZLDCKL-UHFFFAOYSA-N
XLogP5.42
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
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

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CID 89115193
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CID 162355373
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
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CID 71249233
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide
CID 67283476
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
CID 19708402
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine?
The IUPAC name of 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine (CID 175178315) is 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine.
What is the SMILES notation for 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine?
The canonical SMILES for 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine is O=[N+]([O-])c1cccnc1-c1ccccc1Oc1ccccc1-c1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine?
The InChIKey is IUGNNHHSZLDCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O5/c27-25(28)17-9-5-13-23-21(17)15-7-1-3-11-19(15)31-20-12-4-2-8-16(20)22-18(26(29)30)10-6-14-24-22/h1-14H.
What are the key properties of 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine?
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine has a molecular weight of 414.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine is sourced from PubChem (CID 175178315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).