1H-1,7-naphthyridine-2,4-dione

C8H6N2O2 — CID 125415230

IUPAC1H-1,7-naphthyridine-2,4-dione
SMILESO=C1CC(=O)c2ccncc2N1
InChIInChI=1S/C8H6N2O2/c11-7-3-8(12)10-6-4-9-2-1-5(6)7/h1-2,4H,3H2,(H,10,12)
InChIKeyKZJZSAXJNIZAEA-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.61
Rot. Bonds

About 1H-1,7-naphthyridine-2,4-dione

1H-1,7-naphthyridine-2,4-dione (PubChem CID 125415230) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1H-1,7-naphthyridine-2,4-dione.

Molecular Properties

Compound Name1H-1,7-naphthyridine-2,4-dione
PubChem CID125415230
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1H-1,7-naphthyridine-2,4-dione
SMILESO=C1CC(=O)c2ccncc2N1
InChIInChI=1S/C8H6N2O2/c11-7-3-8(12)10-6-4-9-2-1-5(6)7/h1-2,4H,3H2,(H,10,12)
InChIKeyKZJZSAXJNIZAEA-UHFFFAOYSA-N
XLogP0.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-1,7-naphthyridine-2,4-dione?
The IUPAC name of 1H-1,7-naphthyridine-2,4-dione (CID 125415230) is 1H-1,7-naphthyridine-2,4-dione.
What is the SMILES notation for 1H-1,7-naphthyridine-2,4-dione?
The canonical SMILES for 1H-1,7-naphthyridine-2,4-dione is O=C1CC(=O)c2ccncc2N1.
What is the InChIKey of 1H-1,7-naphthyridine-2,4-dione?
The InChIKey is KZJZSAXJNIZAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-3-8(12)10-6-4-9-2-1-5(6)7/h1-2,4H,3H2,(H,10,12).
What are the key properties of 1H-1,7-naphthyridine-2,4-dione?
1H-1,7-naphthyridine-2,4-dione has a molecular weight of 162.15 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,7-naphthyridine-2,4-dione is sourced from PubChem (CID 125415230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).