2-(3-pyridin-2-yloxiran-2-yl)pyridine

C12H10N2O — CID 15457993

IUPAC2-(3-pyridin-2-yloxiran-2-yl)pyridine
SMILESc1ccc(C2OC2c2ccccn2)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
InChIKeyZTQDQWGVSGFNMC-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.29
Rot. Bonds2

About 2-(3-pyridin-2-yloxiran-2-yl)pyridine

2-(3-pyridin-2-yloxiran-2-yl)pyridine (PubChem CID 15457993) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-pyridin-2-yloxiran-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-pyridin-2-yloxiran-2-yl)pyridine
PubChem CID15457993
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name2-(3-pyridin-2-yloxiran-2-yl)pyridine
SMILESc1ccc(C2OC2c2ccccn2)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
InChIKeyZTQDQWGVSGFNMC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yloxiran-2-yl)pyridine?
The IUPAC name of 2-(3-pyridin-2-yloxiran-2-yl)pyridine (CID 15457993) is 2-(3-pyridin-2-yloxiran-2-yl)pyridine.
What is the SMILES notation for 2-(3-pyridin-2-yloxiran-2-yl)pyridine?
The canonical SMILES for 2-(3-pyridin-2-yloxiran-2-yl)pyridine is c1ccc(C2OC2c2ccccn2)nc1.
What is the InChIKey of 2-(3-pyridin-2-yloxiran-2-yl)pyridine?
The InChIKey is ZTQDQWGVSGFNMC-UHFFFAOYSA-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.
What are the key properties of 2-(3-pyridin-2-yloxiran-2-yl)pyridine?
2-(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-(3-pyridin-2-yloxiran-2-yl)pyridine is sourced from PubChem (CID 15457993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).