3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

C9H13NO4 — CID 170817630

IUPAC3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESCc1cc(C(O)C(O)CO)c[nH]c1=O
InChIInChI=1S/C9H13NO4/c1-5-2-6(3-10-9(5)14)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3,(H,10,14)
InChIKeyGVLSWXPWFTUNEA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.93
Rot. Bonds3

About 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (PubChem CID 170817630) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
PubChem CID170817630
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESCc1cc(C(O)C(O)CO)c[nH]c1=O
InChIInChI=1S/C9H13NO4/c1-5-2-6(3-10-9(5)14)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3,(H,10,14)
InChIKeyGVLSWXPWFTUNEA-UHFFFAOYSA-N
XLogP-0.93
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-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 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (CID 170817630) is 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is Cc1cc(C(O)C(O)CO)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is GVLSWXPWFTUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-5-2-6(3-10-9(5)14)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3,(H,10,14).
What are the key properties of 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 199.21 g/mol, XLogP of -0.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 170817630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).