3-(oxiran-2-ylmethoxymethyl)pyridine

C9H11NO2 — CID 23054420

IUPAC3-(oxiran-2-ylmethoxymethyl)pyridine
SMILESc1cncc(COCC2CO2)c1
InChIInChI=1S/C9H11NO2/c1-2-8(4-10-3-1)5-11-6-9-7-12-9/h1-4,9H,5-7H2
InChIKeyOGXIPPJWLMCAPX-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.00
Rot. Bonds4

About 3-(oxiran-2-ylmethoxymethyl)pyridine

3-(oxiran-2-ylmethoxymethyl)pyridine (PubChem CID 23054420) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxymethyl)pyridine
PubChem CID23054420
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(oxiran-2-ylmethoxymethyl)pyridine
SMILESc1cncc(COCC2CO2)c1
InChIInChI=1S/C9H11NO2/c1-2-8(4-10-3-1)5-11-6-9-7-12-9/h1-4,9H,5-7H2
InChIKeyOGXIPPJWLMCAPX-UHFFFAOYSA-N
XLogP1.00
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(phenylmethoxymethyl)oxirane;pyridine
CID 87856687
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
(3aS,5R,7aS)-5-(pyridin-3-ylmethoxymethyl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461237
8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139485
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
(3aS,5S,7aS)-1-methylsulfonyl-5-(pyridin-3-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460641
3-(pyridin-3-ylmethoxymethyl)-8-(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131651226
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131653506

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxymethyl)pyridine?
The IUPAC name of 3-(oxiran-2-ylmethoxymethyl)pyridine (CID 23054420) is 3-(oxiran-2-ylmethoxymethyl)pyridine.
What is the SMILES notation for 3-(oxiran-2-ylmethoxymethyl)pyridine?
The canonical SMILES for 3-(oxiran-2-ylmethoxymethyl)pyridine is c1cncc(COCC2CO2)c1.
What is the InChIKey of 3-(oxiran-2-ylmethoxymethyl)pyridine?
The InChIKey is OGXIPPJWLMCAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-8(4-10-3-1)5-11-6-9-7-12-9/h1-4,9H,5-7H2.
What are the key properties of 3-(oxiran-2-ylmethoxymethyl)pyridine?
3-(oxiran-2-ylmethoxymethyl)pyridine has a molecular weight of 165.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxymethyl)pyridine is sourced from PubChem (CID 23054420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).