5-bromo-1H-1,6-naphthyridin-2-one

C8H5BrN2O — CID 11775824

IUPAC5-bromo-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(Br)nccc2[nH]1
InChIInChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-4H,(H,11,12)
InChIKeyHBOWEWFBGYLXNY-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.69
Rot. Bonds

About 5-bromo-1H-1,6-naphthyridin-2-one

5-bromo-1H-1,6-naphthyridin-2-one (PubChem CID 11775824) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-bromo-1H-1,6-naphthyridin-2-one
PubChem CID11775824
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-bromo-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(Br)nccc2[nH]1
InChIInChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-4H,(H,11,12)
InChIKeyHBOWEWFBGYLXNY-UHFFFAOYSA-N
XLogP1.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-1H-1,6-naphthyridin-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 5-bromo-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-bromo-1H-1,6-naphthyridin-2-one (CID 11775824) is 5-bromo-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-bromo-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-bromo-1H-1,6-naphthyridin-2-one is O=c1ccc2c(Br)nccc2[nH]1.
What is the InChIKey of 5-bromo-1H-1,6-naphthyridin-2-one?
The InChIKey is HBOWEWFBGYLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h1-4H,(H,11,12).
What are the key properties of 5-bromo-1H-1,6-naphthyridin-2-one?
5-bromo-1H-1,6-naphthyridin-2-one has a molecular weight of 225.05 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 11775824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).