3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine

C18H16N2O2 — CID 102197893

IUPAC3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccccc2OCc2cccnc2)c1
InChIInChI=1S/C18H16N2O2/c1-2-8-18(22-14-16-6-4-10-20-12-16)17(7-1)21-13-15-5-3-9-19-11-15/h1-12H,13-14H2
InChIKeyPLNYLVHKBHPWLC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds6

About 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 102197893) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID102197893
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccccc2OCc2cccnc2)c1
InChIInChI=1S/C18H16N2O2/c1-2-8-18(22-14-16-6-4-10-20-12-16)17(7-1)21-13-15-5-3-9-19-11-15/h1-12H,13-14H2
InChIKeyPLNYLVHKBHPWLC-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

3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
2-(pyridin-3-ylmethoxy)pyrazine
CID 90915376

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine (CID 102197893) is 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine is c1cncc(COc2ccccc2OCc2cccnc2)c1.
What is the InChIKey of 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is PLNYLVHKBHPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-8-18(22-14-16-6-4-10-20-12-16)17(7-1)21-13-15-5-3-9-19-11-15/h1-12H,13-14H2.
What are the key properties of 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
3-[[2-(pyridin-3-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 3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 102197893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).