8-bromo-4aH-1,6-naphthyridin-2-one

C8H5BrN2O — CID 71651400

IUPAC8-bromo-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C=NC=C(Br)C2=N1
InChIInChI=1S/C8H5BrN2O/c9-6-4-10-3-5-1-2-7(12)11-8(5)6/h1-5H
InChIKeyNFJYMRBREIHWQW-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.46
Rot. Bonds

About 8-bromo-4aH-1,6-naphthyridin-2-one

8-bromo-4aH-1,6-naphthyridin-2-one (PubChem CID 71651400) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 8-bromo-4aH-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name8-bromo-4aH-1,6-naphthyridin-2-one
PubChem CID71651400
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name8-bromo-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C=NC=C(Br)C2=N1
InChIInChI=1S/C8H5BrN2O/c9-6-4-10-3-5-1-2-7(12)11-8(5)6/h1-5H
InChIKeyNFJYMRBREIHWQW-UHFFFAOYSA-N
XLogP1.46
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-4aH-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

Related Compounds

7-fluoro-4aH-1,6-naphthyridin-2-one
CID 73740809
7-bromo-6H-1,5-naphthyridin-2-one
CID 123713595
4aH-1,6-naphthyridin-2-one
CID 71302030
8-bromo-4aH-quinolin-2-one
CID 71304083
4aH-1,7-naphthyridin-2-one
CID 71628807
5-bromo-4aH-quinolin-2-one
CID 72218702
5-bromo-4aH-1,6-naphthyridin-2-one
CID 73096693
5-bromo-7-methyl-4aH-1,6-naphthyridin-2-one
CID 73187069
7-bromo-4aH-1,5-naphthyridin-2-one
CID 76619277
3-bromo-7-chloro-4aH-1,6-naphthyridin-2-one
CID 178190260

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4aH-1,6-naphthyridin-2-one?
The IUPAC name of 8-bromo-4aH-1,6-naphthyridin-2-one (CID 71651400) is 8-bromo-4aH-1,6-naphthyridin-2-one.
What is the SMILES notation for 8-bromo-4aH-1,6-naphthyridin-2-one?
The canonical SMILES for 8-bromo-4aH-1,6-naphthyridin-2-one is O=C1C=CC2C=NC=C(Br)C2=N1.
What is the InChIKey of 8-bromo-4aH-1,6-naphthyridin-2-one?
The InChIKey is NFJYMRBREIHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-4-10-3-5-1-2-7(12)11-8(5)6/h1-5H.
What are the key properties of 8-bromo-4aH-1,6-naphthyridin-2-one?
8-bromo-4aH-1,6-naphthyridin-2-one has a molecular weight of 225.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4aH-1,6-naphthyridin-2-one is sourced from PubChem (CID 71651400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).