3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine

C11H15ClN2 — CID 82078027

IUPAC3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
SMILESClCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C11H15ClN2/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,9,11H,1-2,6-8H2
InChIKeyCZVSTEPJXLXMOJ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.46
Rot. Bonds3

About 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine

3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine (PubChem CID 82078027) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
PubChem CID82078027
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
SMILESClCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C11H15ClN2/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,9,11H,1-2,6-8H2
InChIKeyCZVSTEPJXLXMOJ-UHFFFAOYSA-N
XLogP2.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
CID 131944543
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
1-[1-(3-bromophenyl)-2-chloroethyl]piperidine
CID 82094794
6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50984326
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine?
The IUPAC name of 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine (CID 82078027) is 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine.
What is the SMILES notation for 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine?
The canonical SMILES for 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine is ClCC(c1cccnc1)N1CCCC1.
What is the InChIKey of 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine?
The InChIKey is CZVSTEPJXLXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h3-5,9,11H,1-2,6-8H2.
What are the key properties of 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine?
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine is sourced from PubChem (CID 82078027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).