5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol

C13H21NO — CID 135179424

IUPAC5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol
SMILESCC(C)(C)C1=CN(C2CCC2)C(O)C=C1
InChIInChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11/h7-9,11-12,15H,4-6H2,1-3H3
InChIKeyGUBLQGGHVSQMSU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.66
Rot. Bonds1

About 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol

5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol (PubChem CID 135179424) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol
PubChem CID135179424
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol
SMILESCC(C)(C)C1=CN(C2CCC2)C(O)C=C1
InChIInChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11/h7-9,11-12,15H,4-6H2,1-3H3
InChIKeyGUBLQGGHVSQMSU-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol?
The IUPAC name of 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol (CID 135179424) is 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol.
What is the SMILES notation for 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol?
The canonical SMILES for 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol is CC(C)(C)C1=CN(C2CCC2)C(O)C=C1.
What is the InChIKey of 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol?
The InChIKey is GUBLQGGHVSQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)14(9-10)11-5-4-6-11/h7-9,11-12,15H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol?
5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-cyclobutyl-2H-pyridin-2-ol is sourced from PubChem (CID 135179424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).