4-[(2S)-2-ethyloxiran-2-yl]pyridine

C9H11NO — CID 129363088

IUPAC4-[(2S)-2-ethyloxiran-2-yl]pyridine
SMILESCC[C@]1(c2ccncc2)CO1
InChIInChI=1S/C9H11NO/c1-2-9(7-11-9)8-3-5-10-6-4-8/h3-6H,2,7H2,1H3/t9-/m1/s1
InChIKeyWIOBMVCWYCJKOW-SECBINFHSA-N
MW149.19 g/mol
LogP1.72
Rot. Bonds2

About 4-[(2S)-2-ethyloxiran-2-yl]pyridine

4-[(2S)-2-ethyloxiran-2-yl]pyridine (PubChem CID 129363088) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-[(2S)-2-ethyloxiran-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2S)-2-ethyloxiran-2-yl]pyridine
PubChem CID129363088
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-[(2S)-2-ethyloxiran-2-yl]pyridine
SMILESCC[C@]1(c2ccncc2)CO1
InChIInChI=1S/C9H11NO/c1-2-9(7-11-9)8-3-5-10-6-4-8/h3-6H,2,7H2,1H3/t9-/m1/s1
InChIKeyWIOBMVCWYCJKOW-SECBINFHSA-N
XLogP1.72
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Pyridin-3-yl)methyl acetate
CID 295656
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
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alpha-Methyl-4-pyridinemethanol
CID 90919
2-(4-Pyridyl)-2-propanol
CID 4580583
(S)-(-)-alpha-Methyl-4-pyridinemethanol
CID 10920507
(1R)-1-(pyridin-4-yl)ethan-1-ol
CID 11804747
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
4-Methyl-5-pyridin-4-ylmethyl-5H-furan-2-one
CID 650643

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-ethyloxiran-2-yl]pyridine?
The IUPAC name of 4-[(2S)-2-ethyloxiran-2-yl]pyridine (CID 129363088) is 4-[(2S)-2-ethyloxiran-2-yl]pyridine.
What is the SMILES notation for 4-[(2S)-2-ethyloxiran-2-yl]pyridine?
The canonical SMILES for 4-[(2S)-2-ethyloxiran-2-yl]pyridine is CC[C@]1(c2ccncc2)CO1.
What is the InChIKey of 4-[(2S)-2-ethyloxiran-2-yl]pyridine?
The InChIKey is WIOBMVCWYCJKOW-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(7-11-9)8-3-5-10-6-4-8/h3-6H,2,7H2,1H3/t9-/m1/s1.
What are the key properties of 4-[(2S)-2-ethyloxiran-2-yl]pyridine?
4-[(2S)-2-ethyloxiran-2-yl]pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-ethyloxiran-2-yl]pyridine is sourced from PubChem (CID 129363088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).