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

C10H13NO2 — CID 142614191

IUPAC2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
SMILESCc1cnc(C)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C10H13NO2/c1-7-3-10(8(2)11-4-7)13-6-9-5-12-9/h3-4,9H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyXPUMGCPBMCTUAW-VIFPVBQESA-N
MW179.22 g/mol
LogP1.48
Rot. Bonds3

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

2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine (PubChem CID 142614191) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
PubChem CID142614191
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
SMILESCc1cnc(C)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C10H13NO2/c1-7-3-10(8(2)11-4-7)13-6-9-5-12-9/h3-4,9H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyXPUMGCPBMCTUAW-VIFPVBQESA-N
XLogP1.48
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.48
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

(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2-fluoro-5-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyrimidine
CID 142614388
2,6-difluoro-4-[4-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]pyridine
CID 142614271
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 20527563
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
4-methyl-3-(oxiran-2-ylmethoxy)benzonitrile
CID 107657547
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
CID 59790994
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine?
The IUPAC name of 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine (CID 142614191) is 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine.
What is the SMILES notation for 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine?
The canonical SMILES for 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine is Cc1cnc(C)c(OC[C@@H]2CO2)c1.
What is the InChIKey of 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine?
The InChIKey is XPUMGCPBMCTUAW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-10(8(2)11-4-7)13-6-9-5-12-9/h3-4,9H,5-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine?
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine has a molecular weight of 179.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine is sourced from PubChem (CID 142614191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).