5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol

C8H11NO2 — CID 6094

IUPAC5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
SMILESCc1ncc(CO)c(C)c1O
InChIInChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3
InChIKeyKKOWAYISKWGDBG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.90
Rot. Bonds1

About 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol (PubChem CID 6094) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
PubChem CID6094
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
SMILESCc1ncc(CO)c(C)c1O
InChIInChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3
InChIKeyKKOWAYISKWGDBG-UHFFFAOYSA-N
XLogP0.90
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol (CID 6094) is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol is Cc1ncc(CO)c(C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol?
The InChIKey is KKOWAYISKWGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol?
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol has a molecular weight of 153.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol is sourced from PubChem (CID 6094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).