4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine

C18H16N2O2 — CID 91365841

IUPAC4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(OCc2ccncc2)c(OCc2ccncc2)c1
InChIInChI=1S/C18H16N2O2/c1-2-4-18(22-14-16-7-11-20-12-8-16)17(3-1)21-13-15-5-9-19-10-6-15/h1-12H,13-14H2
InChIKeyZGLBVILEHUEWKN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds6

About 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine

4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 91365841) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID91365841
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(OCc2ccncc2)c(OCc2ccncc2)c1
InChIInChI=1S/C18H16N2O2/c1-2-4-18(22-14-16-7-11-20-12-8-16)17(3-1)21-13-15-5-9-19-10-6-15/h1-12H,13-14H2
InChIKeyZGLBVILEHUEWKN-UHFFFAOYSA-N
XLogP3.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyriproxyfen
CID 91753
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
RG 13022
CID 5468216
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
4-[2-(3,4-Dimethoxy-phenyl)-vinyl]-pyridine
CID 703616
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)pyridine
CID 25180306
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 961305
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine (CID 91365841) is 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine is c1ccc(OCc2ccncc2)c(OCc2ccncc2)c1.
What is the InChIKey of 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is ZGLBVILEHUEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-4-18(22-14-16-7-11-20-12-8-16)17(3-1)21-13-15-5-9-19-10-6-15/h1-12H,13-14H2.
What are the key properties of 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine has a molecular weight of 292.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 91365841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).