4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

C10H15NO4 — CID 91509235

IUPAC4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCOCC(O)c1c(CO)cnc(C)c1O
InChIInChI=1S/C10H15NO4/c1-6-10(14)9(8(13)5-15-2)7(4-12)3-11-6/h3,8,12-14H,4-5H2,1-2H3
InChIKeyNRSDIKQZAPVJOJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.27
Rot. Bonds4

About 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 91509235) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID91509235
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCOCC(O)c1c(CO)cnc(C)c1O
InChIInChI=1S/C10H15NO4/c1-6-10(14)9(8(13)5-15-2)7(4-12)3-11-6/h3,8,12-14H,4-5H2,1-2H3
InChIKeyNRSDIKQZAPVJOJ-UHFFFAOYSA-N
XLogP0.27
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 91509235) is 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is COCC(O)c1c(CO)cnc(C)c1O.
What is the InChIKey of 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NRSDIKQZAPVJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-10(14)9(8(13)5-15-2)7(4-12)3-11-6/h3,8,12-14H,4-5H2,1-2H3.
What are the key properties of 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 213.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 91509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).