4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine

C12H17NO2 — CID 115410537

IUPAC4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
SMILESCOc1c(C)cnc(CCC2CO2)c1C
InChIInChI=1S/C12H17NO2/c1-8-6-13-11(5-4-10-7-15-10)9(2)12(8)14-3/h6,10H,4-5,7H2,1-3H3
InChIKeyHYYIQWUNXUUWNI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine

4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine (PubChem CID 115410537) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
PubChem CID115410537
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
SMILESCOc1c(C)cnc(CCC2CO2)c1C
InChIInChI=1S/C12H17NO2/c1-8-6-13-11(5-4-10-7-15-10)9(2)12(8)14-3/h6,10H,4-5,7H2,1-3H3
InChIKeyHYYIQWUNXUUWNI-UHFFFAOYSA-N
XLogP2.04
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
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

2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
6-bromo-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-3-one
CID 106798917
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
2-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83147876
4-fluoro-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 112562312
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
CID 64503282
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
6-chloro-2-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(oxiran-2-ylmethyl)pyrimidine-2,4-diamine
CID 87577064
1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116587571

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine?
The IUPAC name of 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine (CID 115410537) is 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine?
The canonical SMILES for 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine is COc1c(C)cnc(CCC2CO2)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine?
The InChIKey is HYYIQWUNXUUWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-13-11(5-4-10-7-15-10)9(2)12(8)14-3/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine?
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine has a molecular weight of 207.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine is sourced from PubChem (CID 115410537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).