4-(azetidin-2-yl)-2-chloropyridine

C8H9ClN2 — CID 55294385

IUPAC4-(azetidin-2-yl)-2-chloropyridine
SMILESClc1cc(C2CCN2)ccn1
InChIInChI=1S/C8H9ClN2/c9-8-5-6(1-3-11-8)7-2-4-10-7/h1,3,5,7,10H,2,4H2
InChIKeySQYHSPOFTWQNMX-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.77
Rot. Bonds1

About 4-(azetidin-2-yl)-2-chloropyridine

4-(azetidin-2-yl)-2-chloropyridine (PubChem CID 55294385) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-(azetidin-2-yl)-2-chloropyridine.

Molecular Properties

Compound Name4-(azetidin-2-yl)-2-chloropyridine
PubChem CID55294385
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-(azetidin-2-yl)-2-chloropyridine
SMILESClc1cc(C2CCN2)ccn1
InChIInChI=1S/C8H9ClN2/c9-8-5-6(1-3-11-8)7-2-4-10-7/h1,3,5,7,10H,2,4H2
InChIKeySQYHSPOFTWQNMX-UHFFFAOYSA-N
XLogP1.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 4-(azetidin-2-yl)-2-chloropyridine?
The IUPAC name of 4-(azetidin-2-yl)-2-chloropyridine (CID 55294385) is 4-(azetidin-2-yl)-2-chloropyridine.
What is the SMILES notation for 4-(azetidin-2-yl)-2-chloropyridine?
The canonical SMILES for 4-(azetidin-2-yl)-2-chloropyridine is Clc1cc(C2CCN2)ccn1.
What is the InChIKey of 4-(azetidin-2-yl)-2-chloropyridine?
The InChIKey is SQYHSPOFTWQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-5-6(1-3-11-8)7-2-4-10-7/h1,3,5,7,10H,2,4H2.
What are the key properties of 4-(azetidin-2-yl)-2-chloropyridine?
4-(azetidin-2-yl)-2-chloropyridine has a molecular weight of 168.63 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-2-yl)-2-chloropyridine is sourced from PubChem (CID 55294385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).