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

C12H10N2O — CID 11356070

IUPAC2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine
SMILESc1ccc([C@H]2O[C@H]2c2ccccn2)nc1
InChIInChI=1S/C12H10N2O/c1-3-7-13-9(5-1)11-12(15-11)10-6-2-4-8-14-10/h1-8,11-12H/t11-,12+
InChIKeyZTQDQWGVSGFNMC-TXEJJXNPSA-N
MW198.23 g/mol
LogP2.29
Rot. Bonds2

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

2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine (PubChem CID 11356070) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine
PubChem CID11356070
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine
SMILESc1ccc([C@H]2O[C@H]2c2ccccn2)nc1
InChIInChI=1S/C12H10N2O/c1-3-7-13-9(5-1)11-12(15-11)10-6-2-4-8-14-10/h1-8,11-12H/t11-,12+
InChIKeyZTQDQWGVSGFNMC-TXEJJXNPSA-N
XLogP2.29
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.29
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

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(5-Phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol
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R-Doxylamine
CID 6852255

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine?
The IUPAC name of 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine (CID 11356070) is 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine.
What is the SMILES notation for 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine?
The canonical SMILES for 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine is c1ccc([C@H]2O[C@H]2c2ccccn2)nc1.
What is the InChIKey of 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine?
The InChIKey is ZTQDQWGVSGFNMC-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H10N2O/c1-3-7-13-9(5-1)11-12(15-11)10-6-2-4-8-14-10/h1-8,11-12H/t11-,12+.
What are the key properties of 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine?
2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine has a molecular weight of 198.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-pyridin-2-yloxiran-2-yl]pyridine is sourced from PubChem (CID 11356070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).