3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

C13H18ClN3 — CID 55053823

IUPAC3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESClc1cccnc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2
InChIKeyOTYVVNQCDPPLLE-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.46
Rot. Bonds2

About 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 55053823) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
PubChem CID55053823
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESClc1cccnc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2
InChIKeyOTYVVNQCDPPLLE-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (CID 55053823) is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is Clc1cccnc1N1CCCC1C1CCCN1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is OTYVVNQCDPPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-10-4-1-8-16-13(10)17-9-3-6-12(17)11-5-2-7-15-11/h1,4,8,11-12,15H,2-3,5-7,9H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 251.76 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 55053823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).