3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one

C8H7BrN2O — CID 22180146

IUPAC3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2ncc(Br)cc21
InChIInChI=1S/C8H7BrN2O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h3-4H,1-2H2,(H,10,12)
InChIKeyMAFVYPWCNOGKEE-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.13
Rot. Bonds

About 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one

3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 22180146) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID22180146
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2ncc(Br)cc21
InChIInChI=1S/C8H7BrN2O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h3-4H,1-2H2,(H,10,12)
InChIKeyMAFVYPWCNOGKEE-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 22180146) is 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2ncc(Br)cc21.
What is the InChIKey of 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is MAFVYPWCNOGKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h3-4H,1-2H2,(H,10,12).
What are the key properties of 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one?
3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 227.06 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 22180146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).