3-phenyl-2-pyridin-3-yloxaziridine

C12H10N2O — CID 19026281

IUPAC3-phenyl-2-pyridin-3-yloxaziridine
SMILESc1ccc(C2ON2c2cccnc2)cc1
InChIInChI=1S/C12H10N2O/c1-2-5-10(6-3-1)12-14(15-12)11-7-4-8-13-9-11/h1-9,12H
InChIKeyKAPHFLSCXTVPHS-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.53
Rot. Bonds2

About 3-phenyl-2-pyridin-3-yloxaziridine

3-phenyl-2-pyridin-3-yloxaziridine (PubChem CID 19026281) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-3-yloxaziridine.

Molecular Properties

Compound Name3-phenyl-2-pyridin-3-yloxaziridine
PubChem CID19026281
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name3-phenyl-2-pyridin-3-yloxaziridine
SMILESc1ccc(C2ON2c2cccnc2)cc1
InChIInChI=1S/C12H10N2O/c1-2-5-10(6-3-1)12-14(15-12)11-7-4-8-13-9-11/h1-9,12H
InChIKeyKAPHFLSCXTVPHS-UHFFFAOYSA-N
XLogP2.53
TPSA28.43 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 ≤ 52.53
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 3-phenyl-2-pyridin-3-yloxaziridine?
The IUPAC name of 3-phenyl-2-pyridin-3-yloxaziridine (CID 19026281) is 3-phenyl-2-pyridin-3-yloxaziridine.
What is the SMILES notation for 3-phenyl-2-pyridin-3-yloxaziridine?
The canonical SMILES for 3-phenyl-2-pyridin-3-yloxaziridine is c1ccc(C2ON2c2cccnc2)cc1.
What is the InChIKey of 3-phenyl-2-pyridin-3-yloxaziridine?
The InChIKey is KAPHFLSCXTVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-5-10(6-3-1)12-14(15-12)11-7-4-8-13-9-11/h1-9,12H.
What are the key properties of 3-phenyl-2-pyridin-3-yloxaziridine?
3-phenyl-2-pyridin-3-yloxaziridine has a molecular weight of 198.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-3-yloxaziridine is sourced from PubChem (CID 19026281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).