4-tert-butyl-1-methyl-2H-pyridin-2-ol

C10H17NO — CID 135127286

IUPAC4-tert-butyl-1-methyl-2H-pyridin-2-ol
SMILESCN1C=CC(C(C)(C)C)=CC1O
InChIInChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h5-7,9,12H,1-4H3
InChIKeyGSEFFQFLQBRHLY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.74
Rot. Bonds

About 4-tert-butyl-1-methyl-2H-pyridin-2-ol

4-tert-butyl-1-methyl-2H-pyridin-2-ol (PubChem CID 135127286) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2H-pyridin-2-ol
PubChem CID135127286
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-tert-butyl-1-methyl-2H-pyridin-2-ol
SMILESCN1C=CC(C(C)(C)C)=CC1O
InChIInChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h5-7,9,12H,1-4H3
InChIKeyGSEFFQFLQBRHLY-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2H-pyridin-2-ol?
The IUPAC name of 4-tert-butyl-1-methyl-2H-pyridin-2-ol (CID 135127286) is 4-tert-butyl-1-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 4-tert-butyl-1-methyl-2H-pyridin-2-ol?
The canonical SMILES for 4-tert-butyl-1-methyl-2H-pyridin-2-ol is CN1C=CC(C(C)(C)C)=CC1O.
What is the InChIKey of 4-tert-butyl-1-methyl-2H-pyridin-2-ol?
The InChIKey is GSEFFQFLQBRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h5-7,9,12H,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-2H-pyridin-2-ol?
4-tert-butyl-1-methyl-2H-pyridin-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 135127286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).