2-chloro-6-(3-phenylaziridin-2-yl)pyridine

C13H11ClN2 — CID 149021390

IUPAC2-chloro-6-(3-phenylaziridin-2-yl)pyridine
SMILESClc1cccc(C2NC2c2ccccc2)n1
InChIInChI=1S/C13H11ClN2/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-8,12-13,16H
InChIKeyQDNNTIXRJQWIQC-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.12
Rot. Bonds2

About 2-chloro-6-(3-phenylaziridin-2-yl)pyridine

2-chloro-6-(3-phenylaziridin-2-yl)pyridine (PubChem CID 149021390) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-chloro-6-(3-phenylaziridin-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-phenylaziridin-2-yl)pyridine
PubChem CID149021390
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name2-chloro-6-(3-phenylaziridin-2-yl)pyridine
SMILESClc1cccc(C2NC2c2ccccc2)n1
InChIInChI=1S/C13H11ClN2/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-8,12-13,16H
InChIKeyQDNNTIXRJQWIQC-UHFFFAOYSA-N
XLogP3.12
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-phenylaziridin-2-yl)pyridine?
The IUPAC name of 2-chloro-6-(3-phenylaziridin-2-yl)pyridine (CID 149021390) is 2-chloro-6-(3-phenylaziridin-2-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-phenylaziridin-2-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3-phenylaziridin-2-yl)pyridine is Clc1cccc(C2NC2c2ccccc2)n1.
What is the InChIKey of 2-chloro-6-(3-phenylaziridin-2-yl)pyridine?
The InChIKey is QDNNTIXRJQWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-8,12-13,16H.
What are the key properties of 2-chloro-6-(3-phenylaziridin-2-yl)pyridine?
2-chloro-6-(3-phenylaziridin-2-yl)pyridine has a molecular weight of 230.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-phenylaziridin-2-yl)pyridine is sourced from PubChem (CID 149021390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).