5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine

C15H20N2 — CID 59416760

IUPAC5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H20N2/c1-11-6-7-12(2)17(11)14-9-8-13(10-16-14)15(3,4)5/h6-10H,1-5H3
InChIKeyMCOPICQRLSZECL-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.79
Rot. Bonds1

About 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine

5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine (PubChem CID 59416760) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine
PubChem CID59416760
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H20N2/c1-11-6-7-12(2)17(11)14-9-8-13(10-16-14)15(3,4)5/h6-10H,1-5H3
InChIKeyMCOPICQRLSZECL-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine (CID 59416760) is 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine is Cc1ccc(C)n1-c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The InChIKey is MCOPICQRLSZECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-7-12(2)17(11)14-9-8-13(10-16-14)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine?
5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine has a molecular weight of 228.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,5-dimethylpyrrol-1-yl)pyridine is sourced from PubChem (CID 59416760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).