2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine

C18H17NO — CID 171974603

IUPAC2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine
SMILESC1=C(c2ccc(-c3ccccn3)cc2)CC2CCC1O2
InChIInChI=1S/C18H17NO/c1-2-10-19-18(3-1)14-6-4-13(5-7-14)15-11-16-8-9-17(12-15)20-16/h1-7,10-11,16-17H,8-9,12H2
InChIKeyIKSUSQYJRVGGPX-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.08
Rot. Bonds2

About 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine

2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine (PubChem CID 171974603) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine
PubChem CID171974603
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine
SMILESC1=C(c2ccc(-c3ccccn3)cc2)CC2CCC1O2
InChIInChI=1S/C18H17NO/c1-2-10-19-18(3-1)14-6-4-13(5-7-14)15-11-16-8-9-17(12-15)20-16/h1-7,10-11,16-17H,8-9,12H2
InChIKeyIKSUSQYJRVGGPX-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(4-pyridin-2-ylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973283
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957331
3-anthracen-9-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973362
3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974798
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
CID 88530161
CID 88530161
2-(4-methylphenyl)pyridine;silver
CID 121395993
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
hydrazine;2-phenylpyridine
CID 158673997
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine (CID 171974603) is 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine is C1=C(c2ccc(-c3ccccn3)cc2)CC2CCC1O2.
What is the InChIKey of 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine?
The InChIKey is IKSUSQYJRVGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-10-19-18(3-1)14-6-4-13(5-7-14)15-11-16-8-9-17(12-15)20-16/h1-7,10-11,16-17H,8-9,12H2.
What are the key properties of 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine?
2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)phenyl]pyridine is sourced from PubChem (CID 171974603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).