1-butyl-3,5-dimethyl-2H-pyridin-2-ol

C11H19NO — CID 175247929

IUPAC1-butyl-3,5-dimethyl-2H-pyridin-2-ol
SMILESCCCCN1C=C(C)C=C(C)C1O
InChIInChI=1S/C11H19NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8,11,13H,4-6H2,1-3H3
InChIKeyVMPUYQOAULJNFL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.27
Rot. Bonds3

About 1-butyl-3,5-dimethyl-2H-pyridin-2-ol

1-butyl-3,5-dimethyl-2H-pyridin-2-ol (PubChem CID 175247929) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-butyl-3,5-dimethyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-butyl-3,5-dimethyl-2H-pyridin-2-ol
PubChem CID175247929
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-butyl-3,5-dimethyl-2H-pyridin-2-ol
SMILESCCCCN1C=C(C)C=C(C)C1O
InChIInChI=1S/C11H19NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8,11,13H,4-6H2,1-3H3
InChIKeyVMPUYQOAULJNFL-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethyl-2H-pyridin-2-ol?
The IUPAC name of 1-butyl-3,5-dimethyl-2H-pyridin-2-ol (CID 175247929) is 1-butyl-3,5-dimethyl-2H-pyridin-2-ol.
What is the SMILES notation for 1-butyl-3,5-dimethyl-2H-pyridin-2-ol?
The canonical SMILES for 1-butyl-3,5-dimethyl-2H-pyridin-2-ol is CCCCN1C=C(C)C=C(C)C1O.
What is the InChIKey of 1-butyl-3,5-dimethyl-2H-pyridin-2-ol?
The InChIKey is VMPUYQOAULJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-12-8-9(2)7-10(3)11(12)13/h7-8,11,13H,4-6H2,1-3H3.
What are the key properties of 1-butyl-3,5-dimethyl-2H-pyridin-2-ol?
1-butyl-3,5-dimethyl-2H-pyridin-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethyl-2H-pyridin-2-ol is sourced from PubChem (CID 175247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).