5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine

C15H15NO2 — CID 59790923

IUPAC5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
SMILESCc1ccc(-c2ccc(OCC3CO3)cc2)nc1
InChIInChI=1S/C15H15NO2/c1-11-2-7-15(16-8-11)12-3-5-13(6-4-12)17-9-14-10-18-14/h2-8,14H,9-10H2,1H3
InChIKeyVMNISPIZFXCONO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.83
Rot. Bonds4

About 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine

5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine (PubChem CID 59790923) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
PubChem CID59790923
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
SMILESCc1ccc(-c2ccc(OCC3CO3)cc2)nc1
InChIInChI=1S/C15H15NO2/c1-11-2-7-15(16-8-11)12-3-5-13(6-4-12)17-9-14-10-18-14/h2-8,14H,9-10H2,1H3
InChIKeyVMNISPIZFXCONO-UHFFFAOYSA-N
XLogP2.83
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.83
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-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
CID 59790994
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
CID 90374577
1,3-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]propan-2-ol
CID 54276038
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
8-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]imidazo[1,2-a]pyridine
CID 22015632
2-[2-(4-methylphenoxy)butoxymethyl]oxirane
CID 158537750
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine?
The IUPAC name of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine (CID 59790923) is 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine is Cc1ccc(-c2ccc(OCC3CO3)cc2)nc1.
What is the InChIKey of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine?
The InChIKey is VMNISPIZFXCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-2-7-15(16-8-11)12-3-5-13(6-4-12)17-9-14-10-18-14/h2-8,14H,9-10H2,1H3.
What are the key properties of 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine?
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine has a molecular weight of 241.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine is sourced from PubChem (CID 59790923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).