2-chloro-5-pyrrolidin-1-ylpyridine

C9H11ClN2 — CID 82225005

IUPAC2-chloro-5-pyrrolidin-1-ylpyridine
SMILESClc1ccc(N2CCCC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyPMXCCYSCSKXARC-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.34
Rot. Bonds1

About 2-chloro-5-pyrrolidin-1-ylpyridine

2-chloro-5-pyrrolidin-1-ylpyridine (PubChem CID 82225005) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-1-ylpyridine
PubChem CID82225005
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-5-pyrrolidin-1-ylpyridine
SMILESClc1ccc(N2CCCC2)cn1
InChIInChI=1S/C9H11ClN2/c10-9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyPMXCCYSCSKXARC-UHFFFAOYSA-N
XLogP2.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.34
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-5-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-chloro-5-pyrrolidin-1-ylpyridine (CID 82225005) is 2-chloro-5-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-chloro-5-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-chloro-5-pyrrolidin-1-ylpyridine is Clc1ccc(N2CCCC2)cn1.
What is the InChIKey of 2-chloro-5-pyrrolidin-1-ylpyridine?
The InChIKey is PMXCCYSCSKXARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-chloro-5-pyrrolidin-1-ylpyridine?
2-chloro-5-pyrrolidin-1-ylpyridine has a molecular weight of 182.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 82225005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).