4-chloro-2-pyrrolidin-1-ylpyridine

C9H11ClN2 — CID 45480436

IUPAC4-chloro-2-pyrrolidin-1-ylpyridine
SMILESClc1ccnc(N2CCCC2)c1
InChIInChI=1S/C9H11ClN2/c10-8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyROBUXNZPPWMZQE-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.34
Rot. Bonds1

About 4-chloro-2-pyrrolidin-1-ylpyridine

4-chloro-2-pyrrolidin-1-ylpyridine (PubChem CID 45480436) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-chloro-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-chloro-2-pyrrolidin-1-ylpyridine
PubChem CID45480436
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-chloro-2-pyrrolidin-1-ylpyridine
SMILESClc1ccnc(N2CCCC2)c1
InChIInChI=1S/C9H11ClN2/c10-8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKeyROBUXNZPPWMZQE-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-chloro-2-pyrrolidin-1-ylpyridine (CID 45480436) is 4-chloro-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-chloro-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-chloro-2-pyrrolidin-1-ylpyridine is Clc1ccnc(N2CCCC2)c1.
What is the InChIKey of 4-chloro-2-pyrrolidin-1-ylpyridine?
The InChIKey is ROBUXNZPPWMZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-chloro-2-pyrrolidin-1-ylpyridine?
4-chloro-2-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 4-chloro-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 45480436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).