4-methylpyridine-2,5-dione

C6H5NO2 — CID 73151446

IUPAC4-methylpyridine-2,5-dione
SMILESCC1=CC(=O)N=CC1=O
InChIInChI=1S/C6H5NO2/c1-4-2-6(9)7-3-5(4)8/h2-3H,1H3
InChIKeyABPRHLQKUKWHHM-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.11
Rot. Bonds

About 4-methylpyridine-2,5-dione

4-methylpyridine-2,5-dione (PubChem CID 73151446) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 4-methylpyridine-2,5-dione.

Molecular Properties

Compound Name4-methylpyridine-2,5-dione
PubChem CID73151446
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name4-methylpyridine-2,5-dione
SMILESCC1=CC(=O)N=CC1=O
InChIInChI=1S/C6H5NO2/c1-4-2-6(9)7-3-5(4)8/h2-3H,1H3
InChIKeyABPRHLQKUKWHHM-UHFFFAOYSA-N
XLogP0.11
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine-2,5-dione?
The IUPAC name of 4-methylpyridine-2,5-dione (CID 73151446) is 4-methylpyridine-2,5-dione.
What is the SMILES notation for 4-methylpyridine-2,5-dione?
The canonical SMILES for 4-methylpyridine-2,5-dione is CC1=CC(=O)N=CC1=O.
What is the InChIKey of 4-methylpyridine-2,5-dione?
The InChIKey is ABPRHLQKUKWHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c1-4-2-6(9)7-3-5(4)8/h2-3H,1H3.
What are the key properties of 4-methylpyridine-2,5-dione?
4-methylpyridine-2,5-dione has a molecular weight of 123.11 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine-2,5-dione is sourced from PubChem (CID 73151446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).