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

C8H7BrN2O — CID 133063047

IUPAC5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one
SMILESO=C1CCNc2nccc(Br)c21
InChIInChI=1S/C8H7BrN2O/c9-5-1-3-10-8-7(5)6(12)2-4-11-8/h1,3H,2,4H2,(H,10,11)
InChIKeyKMGIFORJMZPQAS-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one

5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one (PubChem CID 133063047) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one
PubChem CID133063047
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one
SMILESO=C1CCNc2nccc(Br)c21
InChIInChI=1S/C8H7BrN2O/c9-5-1-3-10-8-7(5)6(12)2-4-11-8/h1,3H,2,4H2,(H,10,11)
InChIKeyKMGIFORJMZPQAS-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one (CID 133063047) is 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one is O=C1CCNc2nccc(Br)c21.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one?
The InChIKey is KMGIFORJMZPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-5-1-3-10-8-7(5)6(12)2-4-11-8/h1,3H,2,4H2,(H,10,11).
What are the key properties of 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one?
5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one has a molecular weight of 227.06 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 133063047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).