2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

C14H20ClN3 — CID 79037923

IUPAC2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1cccc(CN2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H20ClN3/c15-14-5-3-4-12(16-14)10-17-9-6-13(11-17)18-7-1-2-8-18/h3-5,13H,1-2,6-11H2
InChIKeyMGGCGBVVPPHSTJ-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 79037923) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID79037923
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1cccc(CN2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H20ClN3/c15-14-5-3-4-12(16-14)10-17-9-6-13(11-17)18-7-1-2-8-18/h3-5,13H,1-2,6-11H2
InChIKeyMGGCGBVVPPHSTJ-UHFFFAOYSA-N
XLogP2.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]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-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510
[6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79233890
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
CID 46958258
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
[6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (CID 79037923) is 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is Clc1cccc(CN2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is MGGCGBVVPPHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-14-5-3-4-12(16-14)10-17-9-6-13(11-17)18-7-1-2-8-18/h3-5,13H,1-2,6-11H2.
What are the key properties of 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 265.79 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 79037923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).