3-methoxy-2-(oxiran-2-ylmethoxy)pyridine

C9H11NO3 — CID 13195077

IUPAC3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
SMILESCOc1cccnc1OCC1CO1
InChIInChI=1S/C9H11NO3/c1-11-8-3-2-4-10-9(8)13-6-7-5-12-7/h2-4,7H,5-6H2,1H3
InChIKeyMINZVLFUMOXQGZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.87
Rot. Bonds4

About 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine

3-methoxy-2-(oxiran-2-ylmethoxy)pyridine (PubChem CID 13195077) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
PubChem CID13195077
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-methoxy-2-(oxiran-2-ylmethoxy)pyridine
SMILESCOc1cccnc1OCC1CO1
InChIInChI=1S/C9H11NO3/c1-11-8-3-2-4-10-9(8)13-6-7-5-12-7/h2-4,7H,5-6H2,1H3
InChIKeyMINZVLFUMOXQGZ-UHFFFAOYSA-N
XLogP0.87
TPSA43.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethoxy-2-methyl-1,3-dioxolan-4-yl)methoxy]-3-methoxypyridine
CID 13195075
2-[(3-propan-2-yloxy-2-pyridinyl)oxymethyl]morpholine
CID 114469138
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
trimethoxy-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 151603348
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine?
The IUPAC name of 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine (CID 13195077) is 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine?
The canonical SMILES for 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine is COc1cccnc1OCC1CO1.
What is the InChIKey of 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine?
The InChIKey is MINZVLFUMOXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-11-8-3-2-4-10-9(8)13-6-7-5-12-7/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine?
3-methoxy-2-(oxiran-2-ylmethoxy)pyridine has a molecular weight of 181.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(oxiran-2-ylmethoxy)pyridine is sourced from PubChem (CID 13195077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).