6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one

C8H7BrN2O — CID 11096325

IUPAC6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)
InChIKeyVJEOGGNIBLORIJ-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.73
Rot. Bonds

About 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 11096325) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID11096325
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12)
InChIKeyVJEOGGNIBLORIJ-UHFFFAOYSA-N
XLogP1.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3,4-dihydro-1H-1,8-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 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 11096325) is 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(Br)cnc2N1.
What is the InChIKey of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is VJEOGGNIBLORIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-6-3-5-1-2-7(12)11-8(5)10-4-6/h3-4H,1-2H2,(H,10,11,12).
What are the key properties of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 227.06 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11096325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).