4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine

C13H11ClN2 — CID 3744755

IUPAC4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine
SMILESClc1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C13H11ClN2/c14-11-1-3-12(4-2-11)16-9-13(16)10-5-7-15-8-6-10/h1-8,13H,9H2
InChIKeyBVZSSXOUAZMZLX-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.30
Rot. Bonds2

About 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine

4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine (PubChem CID 3744755) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine
PubChem CID3744755
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine
SMILESClc1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C13H11ClN2/c14-11-1-3-12(4-2-11)16-9-13(16)10-5-7-15-8-6-10/h1-8,13H,9H2
InChIKeyBVZSSXOUAZMZLX-UHFFFAOYSA-N
XLogP3.30
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine?
The IUPAC name of 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine (CID 3744755) is 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine?
The canonical SMILES for 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine is Clc1ccc(N2CC2c2ccncc2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine?
The InChIKey is BVZSSXOUAZMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-11-1-3-12(4-2-11)16-9-13(16)10-5-7-15-8-6-10/h1-8,13H,9H2.
What are the key properties of 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine?
4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine has a molecular weight of 230.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)aziridin-2-yl]pyridine is sourced from PubChem (CID 3744755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).