2-bromo-7H-1,7-naphthyridin-6-one

C8H5BrN2O — CID 22268257

IUPAC2-bromo-7H-1,7-naphthyridin-6-one
SMILESO=c1cc2ccc(Br)nc2c[nH]1
InChIInChI=1S/C8H5BrN2O/c9-7-2-1-5-3-8(12)10-4-6(5)11-7/h1-4H,(H,10,12)
InChIKeyBYYXGGOZRGWRRN-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.69
Rot. Bonds

About 2-bromo-7H-1,7-naphthyridin-6-one

2-bromo-7H-1,7-naphthyridin-6-one (PubChem CID 22268257) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-bromo-7H-1,7-naphthyridin-6-one.

Molecular Properties

Compound Name2-bromo-7H-1,7-naphthyridin-6-one
PubChem CID22268257
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name2-bromo-7H-1,7-naphthyridin-6-one
SMILESO=c1cc2ccc(Br)nc2c[nH]1
InChIInChI=1S/C8H5BrN2O/c9-7-2-1-5-3-8(12)10-4-6(5)11-7/h1-4H,(H,10,12)
InChIKeyBYYXGGOZRGWRRN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7H-1,7-naphthyridin-6-one?
The IUPAC name of 2-bromo-7H-1,7-naphthyridin-6-one (CID 22268257) is 2-bromo-7H-1,7-naphthyridin-6-one.
What is the SMILES notation for 2-bromo-7H-1,7-naphthyridin-6-one?
The canonical SMILES for 2-bromo-7H-1,7-naphthyridin-6-one is O=c1cc2ccc(Br)nc2c[nH]1.
What is the InChIKey of 2-bromo-7H-1,7-naphthyridin-6-one?
The InChIKey is BYYXGGOZRGWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-2-1-5-3-8(12)10-4-6(5)11-7/h1-4H,(H,10,12).
What are the key properties of 2-bromo-7H-1,7-naphthyridin-6-one?
2-bromo-7H-1,7-naphthyridin-6-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 2-bromo-7H-1,7-naphthyridin-6-one is sourced from PubChem (CID 22268257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).