2-chloro-5-pyrrolidin-3-ylpyridine

C9H11ClN2 — CID 10535455

IUPAC2-chloro-5-pyrrolidin-3-ylpyridine
SMILESClc1ccc(C2CCNC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-2-1-7(6-12-9)8-3-4-11-5-8/h1-2,6,8,11H,3-5H2
InChIKeyLHJJXWWVGBSUEE-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.81
Rot. Bonds1

About 2-chloro-5-pyrrolidin-3-ylpyridine

2-chloro-5-pyrrolidin-3-ylpyridine (PubChem CID 10535455) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-3-ylpyridine
PubChem CID10535455
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-5-pyrrolidin-3-ylpyridine
SMILESClc1ccc(C2CCNC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-2-1-7(6-12-9)8-3-4-11-5-8/h1-2,6,8,11H,3-5H2
InChIKeyLHJJXWWVGBSUEE-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.81
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 2-chloro-5-pyrrolidin-3-ylpyridine?
The IUPAC name of 2-chloro-5-pyrrolidin-3-ylpyridine (CID 10535455) is 2-chloro-5-pyrrolidin-3-ylpyridine.
What is the SMILES notation for 2-chloro-5-pyrrolidin-3-ylpyridine?
The canonical SMILES for 2-chloro-5-pyrrolidin-3-ylpyridine is Clc1ccc(C2CCNC2)cn1.
What is the InChIKey of 2-chloro-5-pyrrolidin-3-ylpyridine?
The InChIKey is LHJJXWWVGBSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-9-2-1-7(6-12-9)8-3-4-11-5-8/h1-2,6,8,11H,3-5H2.
What are the key properties of 2-chloro-5-pyrrolidin-3-ylpyridine?
2-chloro-5-pyrrolidin-3-ylpyridine has a molecular weight of 182.65 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 10535455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).