1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol

C11H19NO2 — CID 175054321

IUPAC1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol
SMILESCC(C)C(O)N1C=CC(O)=CC1(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(14)12-6-5-9(13)7-11(12,3)4/h5-8,10,13-14H,1-4H3
InChIKeyWZNLMERJNWNFKZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.01
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol

1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol (PubChem CID 175054321) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol
PubChem CID175054321
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol
SMILESCC(C)C(O)N1C=CC(O)=CC1(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)10(14)12-6-5-9(13)7-11(12,3)4/h5-8,10,13-14H,1-4H3
InChIKeyWZNLMERJNWNFKZ-UHFFFAOYSA-N
XLogP2.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol?
The IUPAC name of 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol (CID 175054321) is 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol?
The canonical SMILES for 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol is CC(C)C(O)N1C=CC(O)=CC1(C)C.
What is the InChIKey of 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol?
The InChIKey is WZNLMERJNWNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(14)12-6-5-9(13)7-11(12,3)4/h5-8,10,13-14H,1-4H3.
What are the key properties of 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol?
1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol has a molecular weight of 197.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropyl)-2,2-dimethylpyridin-4-ol is sourced from PubChem (CID 175054321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).