4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol

C9H13NO3 — CID 23422600

IUPAC4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol
SMILESCc1nc(C)c(CO)c(CO)c1O
InChIInChI=1S/C9H13NO3/c1-5-7(3-11)8(4-12)9(13)6(2)10-5/h11-13H,3-4H2,1-2H3
InChIKeyIGYIRAOGXMDGQT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds2

About 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol

4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol (PubChem CID 23422600) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol
PubChem CID23422600
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol
SMILESCc1nc(C)c(CO)c(CO)c1O
InChIInChI=1S/C9H13NO3/c1-5-7(3-11)8(4-12)9(13)6(2)10-5/h11-13H,3-4H2,1-2H3
InChIKeyIGYIRAOGXMDGQT-UHFFFAOYSA-N
XLogP0.39
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol?
The IUPAC name of 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol (CID 23422600) is 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol is Cc1nc(C)c(CO)c(CO)c1O.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol?
The InChIKey is IGYIRAOGXMDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-7(3-11)8(4-12)9(13)6(2)10-5/h11-13H,3-4H2,1-2H3.
What are the key properties of 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol?
4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol has a molecular weight of 183.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-2,6-dimethylpyridin-3-ol is sourced from PubChem (CID 23422600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).