2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol

C9H11NO3 — CID 54480326

IUPAC2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol
SMILESC=Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C9H11NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h2-3,11-13H,1,4-5H2
InChIKeyXONPRJCITMOUQY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.41
Rot. Bonds3

About 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol

2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol (PubChem CID 54480326) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol
PubChem CID54480326
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol
SMILESC=Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C9H11NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h2-3,11-13H,1,4-5H2
InChIKeyXONPRJCITMOUQY-UHFFFAOYSA-N
XLogP0.41
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol (CID 54480326) is 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol is C=Cc1ncc(CO)c(CO)c1O.
What is the InChIKey of 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol?
The InChIKey is XONPRJCITMOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h2-3,11-13H,1,4-5H2.
What are the key properties of 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol?
2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol has a molecular weight of 181.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-bis(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 54480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).