1,2-dimethyl-2H-pyridine-3,6-dione

C7H9NO2 — CID 174843898

IUPAC1,2-dimethyl-2H-pyridine-3,6-dione
SMILESCC1C(=O)C=CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3
InChIKeyBYNMDVHKJMYIMY-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.03
Rot. Bonds

About 1,2-dimethyl-2H-pyridine-3,6-dione

1,2-dimethyl-2H-pyridine-3,6-dione (PubChem CID 174843898) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1,2-dimethyl-2H-pyridine-3,6-dione.

Molecular Properties

Compound Name1,2-dimethyl-2H-pyridine-3,6-dione
PubChem CID174843898
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1,2-dimethyl-2H-pyridine-3,6-dione
SMILESCC1C(=O)C=CC(=O)N1C
InChIInChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3
InChIKeyBYNMDVHKJMYIMY-UHFFFAOYSA-N
XLogP-0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-2H-pyridine-3,6-dione 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 1,2-dimethyl-2H-pyridine-3,6-dione?
The IUPAC name of 1,2-dimethyl-2H-pyridine-3,6-dione (CID 174843898) is 1,2-dimethyl-2H-pyridine-3,6-dione.
What is the SMILES notation for 1,2-dimethyl-2H-pyridine-3,6-dione?
The canonical SMILES for 1,2-dimethyl-2H-pyridine-3,6-dione is CC1C(=O)C=CC(=O)N1C.
What is the InChIKey of 1,2-dimethyl-2H-pyridine-3,6-dione?
The InChIKey is BYNMDVHKJMYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-6(9)3-4-7(10)8(5)2/h3-5H,1-2H3.
What are the key properties of 1,2-dimethyl-2H-pyridine-3,6-dione?
1,2-dimethyl-2H-pyridine-3,6-dione has a molecular weight of 139.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2H-pyridine-3,6-dione is sourced from PubChem (CID 174843898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).