3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine

C17H18N2O — CID 139948521

IUPAC3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine
SMILESCC1(C=Cc2cncc(Oc3ccccc3)c2)CCN1
InChIInChI=1S/C17H18N2O/c1-17(9-10-19-17)8-7-14-11-16(13-18-12-14)20-15-5-3-2-4-6-15/h2-8,11-13,19H,9-10H2,1H3
InChIKeyIRNXPNDTONNNCP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.64
Rot. Bonds4

About 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine

3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine (PubChem CID 139948521) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine.

Molecular Properties

Compound Name3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine
PubChem CID139948521
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine
SMILESCC1(C=Cc2cncc(Oc3ccccc3)c2)CCN1
InChIInChI=1S/C17H18N2O/c1-17(9-10-19-17)8-7-14-11-16(13-18-12-14)20-15-5-3-2-4-6-15/h2-8,11-13,19H,9-10H2,1H3
InChIKeyIRNXPNDTONNNCP-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine?
The IUPAC name of 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine (CID 139948521) is 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine.
What is the SMILES notation for 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine?
The canonical SMILES for 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine is CC1(C=Cc2cncc(Oc3ccccc3)c2)CCN1.
What is the InChIKey of 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine?
The InChIKey is IRNXPNDTONNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(9-10-19-17)8-7-14-11-16(13-18-12-14)20-15-5-3-2-4-6-15/h2-8,11-13,19H,9-10H2,1H3.
What are the key properties of 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine?
3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine has a molecular weight of 266.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine is sourced from PubChem (CID 139948521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).