8-bromo-4H-2,7-naphthyridine-1,3-dione

C8H5BrN2O2 — CID 155579387

IUPAC8-bromo-4H-2,7-naphthyridine-1,3-dione
SMILESO=C1Cc2ccnc(Br)c2C(=O)N1
InChIInChI=1S/C8H5BrN2O2/c9-7-6-4(1-2-10-7)3-5(12)11-8(6)13/h1-2H,3H2,(H,11,12,13)
InChIKeyQSABZHWWDIDHAV-UHFFFAOYSA-N
MW241.04 g/mol
LogP0.66
Rot. Bonds

About 8-bromo-4H-2,7-naphthyridine-1,3-dione

8-bromo-4H-2,7-naphthyridine-1,3-dione (PubChem CID 155579387) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 8-bromo-4H-2,7-naphthyridine-1,3-dione.

Molecular Properties

Compound Name8-bromo-4H-2,7-naphthyridine-1,3-dione
PubChem CID155579387
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name8-bromo-4H-2,7-naphthyridine-1,3-dione
SMILESO=C1Cc2ccnc(Br)c2C(=O)N1
InChIInChI=1S/C8H5BrN2O2/c9-7-6-4(1-2-10-7)3-5(12)11-8(6)13/h1-2H,3H2,(H,11,12,13)
InChIKeyQSABZHWWDIDHAV-UHFFFAOYSA-N
XLogP0.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-bromo-4H-2,7-naphthyridine-1,3-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 8-bromo-4H-2,7-naphthyridine-1,3-dione?
The IUPAC name of 8-bromo-4H-2,7-naphthyridine-1,3-dione (CID 155579387) is 8-bromo-4H-2,7-naphthyridine-1,3-dione.
What is the SMILES notation for 8-bromo-4H-2,7-naphthyridine-1,3-dione?
The canonical SMILES for 8-bromo-4H-2,7-naphthyridine-1,3-dione is O=C1Cc2ccnc(Br)c2C(=O)N1.
What is the InChIKey of 8-bromo-4H-2,7-naphthyridine-1,3-dione?
The InChIKey is QSABZHWWDIDHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-7-6-4(1-2-10-7)3-5(12)11-8(6)13/h1-2H,3H2,(H,11,12,13).
What are the key properties of 8-bromo-4H-2,7-naphthyridine-1,3-dione?
8-bromo-4H-2,7-naphthyridine-1,3-dione has a molecular weight of 241.04 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4H-2,7-naphthyridine-1,3-dione is sourced from PubChem (CID 155579387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).