phenoxybenzene;2-pyridin-2-ylpyridine

C22H18N2O — CID 174917355

IUPACphenoxybenzene;2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10H;1-8H
InChIKeyOPQYJCYHCBVUBZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.62
Rot. Bonds3

About phenoxybenzene;2-pyridin-2-ylpyridine

phenoxybenzene;2-pyridin-2-ylpyridine (PubChem CID 174917355) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is phenoxybenzene;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namephenoxybenzene;2-pyridin-2-ylpyridine
PubChem CID174917355
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Namephenoxybenzene;2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10H;1-8H
InChIKeyOPQYJCYHCBVUBZ-UHFFFAOYSA-N
XLogP5.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
ethane;2-phenoxypyridine
CID 90835857
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182

Frequently Asked Questions

What is the IUPAC name of phenoxybenzene;2-pyridin-2-ylpyridine?
The IUPAC name of phenoxybenzene;2-pyridin-2-ylpyridine (CID 174917355) is phenoxybenzene;2-pyridin-2-ylpyridine.
What is the SMILES notation for phenoxybenzene;2-pyridin-2-ylpyridine?
The canonical SMILES for phenoxybenzene;2-pyridin-2-ylpyridine is c1ccc(-c2ccccn2)nc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of phenoxybenzene;2-pyridin-2-ylpyridine?
The InChIKey is OPQYJCYHCBVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10H;1-8H.
What are the key properties of phenoxybenzene;2-pyridin-2-ylpyridine?
phenoxybenzene;2-pyridin-2-ylpyridine has a molecular weight of 326.40 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybenzene;2-pyridin-2-ylpyridine is sourced from PubChem (CID 174917355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).