1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one

C10H13NO5 — CID 5252224

IUPAC1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn(C2OC(CO)C(O)C2O)cc1
InChIInChI=1S/C10H13NO5/c12-5-7-8(14)9(15)10(16-7)11-3-1-6(13)2-4-11/h1-4,7-10,12,14-15H,5H2
InChIKeyLSOMVVZDALJIPA-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.54
Rot. Bonds2

About 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 5252224) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID5252224
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn(C2OC(CO)C(O)C2O)cc1
InChIInChI=1S/C10H13NO5/c12-5-7-8(14)9(15)10(16-7)11-3-1-6(13)2-4-11/h1-4,7-10,12,14-15H,5H2
InChIKeyLSOMVVZDALJIPA-UHFFFAOYSA-N
XLogP-1.54
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one 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 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (CID 5252224) is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is O=c1ccn(C2OC(CO)C(O)C2O)cc1.
What is the InChIKey of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is LSOMVVZDALJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-5-7-8(14)9(15)10(16-7)11-3-1-6(13)2-4-11/h1-4,7-10,12,14-15H,5H2.
What are the key properties of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 227.22 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 5252224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).