2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol

C9H11NO2 — CID 71400938

IUPAC2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol
SMILESC=Cc1ncc(CO)c(C)c1O
InChIInChI=1S/C9H11NO2/c1-3-8-9(12)6(2)7(5-11)4-10-8/h3-4,11-12H,1,5H2,2H3
InChIKeyXCXLHFHPQASJEO-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.23
Rot. Bonds2

About 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol

2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol (PubChem CID 71400938) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol.

Molecular Properties

Compound Name2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol
PubChem CID71400938
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol
SMILESC=Cc1ncc(CO)c(C)c1O
InChIInChI=1S/C9H11NO2/c1-3-8-9(12)6(2)7(5-11)4-10-8/h3-4,11-12H,1,5H2,2H3
InChIKeyXCXLHFHPQASJEO-UHFFFAOYSA-N
XLogP1.23
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol?
The IUPAC name of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol (CID 71400938) is 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol.
What is the SMILES notation for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol?
The canonical SMILES for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol is C=Cc1ncc(CO)c(C)c1O.
What is the InChIKey of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol?
The InChIKey is XCXLHFHPQASJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-8-9(12)6(2)7(5-11)4-10-8/h3-4,11-12H,1,5H2,2H3.
What are the key properties of 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol?
2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol has a molecular weight of 165.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol is sourced from PubChem (CID 71400938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).