5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol

C10H13NO3 — CID 169454499

IUPAC5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(C=CCO)c1O
InChIInChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3
InChIKeyOXUSXZKCZWGDKD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.59
Rot. Bonds3

About 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol (PubChem CID 169454499) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
PubChem CID169454499
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(C=CCO)c1O
InChIInChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3
InChIKeyOXUSXZKCZWGDKD-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol (CID 169454499) is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(C=CCO)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The InChIKey is OXUSXZKCZWGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol has a molecular weight of 195.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 169454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).