5-tert-butyl-2-(furan-3-yl)pyridine

C13H15NO — CID 59138577

IUPAC5-tert-butyl-2-(furan-3-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccoc2)nc1
InChIInChI=1S/C13H15NO/c1-13(2,3)11-4-5-12(14-8-11)10-6-7-15-9-10/h4-9H,1-3H3
InChIKeyUQCSUHGKHXVHOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.64
Rot. Bonds1

About 5-tert-butyl-2-(furan-3-yl)pyridine

5-tert-butyl-2-(furan-3-yl)pyridine (PubChem CID 59138577) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-tert-butyl-2-(furan-3-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(furan-3-yl)pyridine
PubChem CID59138577
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-tert-butyl-2-(furan-3-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccoc2)nc1
InChIInChI=1S/C13H15NO/c1-13(2,3)11-4-5-12(14-8-11)10-6-7-15-9-10/h4-9H,1-3H3
InChIKeyUQCSUHGKHXVHOX-UHFFFAOYSA-N
XLogP3.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(furan-3-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(furan-3-yl)pyridine (CID 59138577) is 5-tert-butyl-2-(furan-3-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(furan-3-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(furan-3-yl)pyridine is CC(C)(C)c1ccc(-c2ccoc2)nc1.
What is the InChIKey of 5-tert-butyl-2-(furan-3-yl)pyridine?
The InChIKey is UQCSUHGKHXVHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)11-4-5-12(14-8-11)10-6-7-15-9-10/h4-9H,1-3H3.
What are the key properties of 5-tert-butyl-2-(furan-3-yl)pyridine?
5-tert-butyl-2-(furan-3-yl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 3.64, 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-(furan-3-yl)pyridine is sourced from PubChem (CID 59138577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).