2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine

C9H9NO — CID 93493906

IUPAC2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
SMILESC=C[C@H]1O[C@H]1c1ccccn1
InChIInChI=1S/C9H9NO/c1-2-8-9(11-8)7-5-3-4-6-10-7/h2-6,8-9H,1H2/t8-,9+/m1/s1
InChIKeyKQZCYCFEWMAJBR-BDAKNGLRSA-N
MW147.18 g/mol
LogP1.71
Rot. Bonds2

About 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine

2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine (PubChem CID 93493906) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
PubChem CID93493906
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
SMILESC=C[C@H]1O[C@H]1c1ccccn1
InChIInChI=1S/C9H9NO/c1-2-8-9(11-8)7-5-3-4-6-10-7/h2-6,8-9H,1H2/t8-,9+/m1/s1
InChIKeyKQZCYCFEWMAJBR-BDAKNGLRSA-N
XLogP1.71
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
CID 71408013
2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
CID 165176425
2-prop-2-enylpyridine
CID 3015241
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
2,4,6-tripyridin-2-yl-1,3,5-triazinane
CID 3057069
2-(diaziridin-3-yl)pyridine
CID 163685048
3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 66633912
(2R)-2-pyridin-2-yl-2,3-dihydro-1,3-oxazole
CID 98070956
phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 175044718
methyl (2S,3R)-3-pyridin-2-yloxirane-2-carboxylate
CID 13411324
2-ethenylpyridine;hydrate
CID 67843107

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine?
The IUPAC name of 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine (CID 93493906) is 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine.
What is the SMILES notation for 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine?
The canonical SMILES for 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine is C=C[C@H]1O[C@H]1c1ccccn1.
What is the InChIKey of 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine?
The InChIKey is KQZCYCFEWMAJBR-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-8-9(11-8)7-5-3-4-6-10-7/h2-6,8-9H,1H2/t8-,9+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine?
2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine has a molecular weight of 147.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine is sourced from PubChem (CID 93493906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).