3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine

C11H15NO3 — CID 175366959

IUPAC3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
SMILESCc1ccncc1OCC1COCCO1
InChIInChI=1S/C11H15NO3/c1-9-2-3-12-6-11(9)15-8-10-7-13-4-5-14-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyUXUBNVUDELCAHA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine

3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine (PubChem CID 175366959) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
PubChem CID175366959
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
SMILESCc1ccncc1OCC1COCCO1
InChIInChI=1S/C11H15NO3/c1-9-2-3-12-6-11(9)15-8-10-7-13-4-5-14-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyUXUBNVUDELCAHA-UHFFFAOYSA-N
XLogP1.18
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-fluoro-N-methoxypyridin-3-amine
CID 162687373
[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
CID 162342133
(7S)-3-(3-chloro-2-methylanilino)-2-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-pyridinyl]-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 156870299
3-[(5,5-dimethyl-1,4-dioxan-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234721
2-(1,4-dioxan-2-ylmethoxy)-6-fluorobenzonitrile
CID 136542710
azane;3-(3,3-dimethylbutoxy)-4-methylpyridine
CID 175027935
4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234769
3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644927
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine?
The IUPAC name of 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine (CID 175366959) is 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine is Cc1ccncc1OCC1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine?
The InChIKey is UXUBNVUDELCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9-2-3-12-6-11(9)15-8-10-7-13-4-5-14-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine?
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine has a molecular weight of 209.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine is sourced from PubChem (CID 175366959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).