2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine

C13H18Cl2N2 — CID 67953215

IUPAC2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine
SMILESCC(C)(C)C1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-13(2,3)11-5-4-6-17(11)12-10(15)7-9(14)8-16-12/h7-8,11H,4-6H2,1-3H3
InChIKeyOUUIPTQNPACKHF-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.40
Rot. Bonds1

About 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine

2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine (PubChem CID 67953215) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine.

Molecular Properties

Compound Name2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine
PubChem CID67953215
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine
SMILESCC(C)(C)C1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-13(2,3)11-5-4-6-17(11)12-10(15)7-9(14)8-16-12/h7-8,11H,4-6H2,1-3H3
InChIKeyOUUIPTQNPACKHF-UHFFFAOYSA-N
XLogP4.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine?
The IUPAC name of 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine (CID 67953215) is 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine.
What is the SMILES notation for 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine?
The canonical SMILES for 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine is CC(C)(C)C1CCCN1c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine?
The InChIKey is OUUIPTQNPACKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-13(2,3)11-5-4-6-17(11)12-10(15)7-9(14)8-16-12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine?
2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine has a molecular weight of 273.21 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine is sourced from PubChem (CID 67953215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).