2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane

C15H15ClN2 — CID 90732966

IUPAC2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane
SMILESCC.Clc1cccc(C2N=C2c2ccccc2)n1
InChIInChI=1S/C13H9ClN2.C2H6/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3
InChIKeyBSLXFAQEIQHTIN-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.31
Rot. Bonds2

About 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane

2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane (PubChem CID 90732966) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane.

Molecular Properties

Compound Name2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane
PubChem CID90732966
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane
SMILESCC.Clc1cccc(C2N=C2c2ccccc2)n1
InChIInChI=1S/C13H9ClN2.C2H6/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3
InChIKeyBSLXFAQEIQHTIN-UHFFFAOYSA-N
XLogP4.31
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane?
The IUPAC name of 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane (CID 90732966) is 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane.
What is the SMILES notation for 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane?
The canonical SMILES for 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane is CC.Clc1cccc(C2N=C2c2ccccc2)n1.
What is the InChIKey of 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane?
The InChIKey is BSLXFAQEIQHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2.C2H6/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9;1-2/h1-8,13H;1-2H3.
What are the key properties of 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane?
2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane has a molecular weight of 258.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane is sourced from PubChem (CID 90732966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).