3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine

C18H16N2O2 — CID 91147542

IUPAC3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C18H16N2O2/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-12H,13-14H2
InChIKeyAKFMQTVBYVPYAZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds6

About 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 91147542) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID91147542
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cncc(COc2ccc(OCc3cccnc3)cc2)c1
InChIInChI=1S/C18H16N2O2/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-12H,13-14H2
InChIKeyAKFMQTVBYVPYAZ-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-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-[(4-isocyanatophenoxy)methyl]pyridine
CID 169353619
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine (CID 91147542) is 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine is c1cncc(COc2ccc(OCc3cccnc3)cc2)c1.
What is the InChIKey of 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is AKFMQTVBYVPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-12H,13-14H2.
What are the key properties of 3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine?
3-[[4-(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-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 91147542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).