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

C8H5BrN2O — CID 118436923

IUPAC4-bromo-2H-2,6-naphthyridin-1-one
SMILESO=c1[nH]cc(Br)c2cnccc12
InChIInChI=1S/C8H5BrN2O/c9-7-4-11-8(12)5-1-2-10-3-6(5)7/h1-4H,(H,11,12)
InChIKeyYECQDGSPZMWDCL-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.69
Rot. Bonds

About 4-bromo-2H-2,6-naphthyridin-1-one

4-bromo-2H-2,6-naphthyridin-1-one (PubChem CID 118436923) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 4-bromo-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name4-bromo-2H-2,6-naphthyridin-1-one
PubChem CID118436923
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name4-bromo-2H-2,6-naphthyridin-1-one
SMILESO=c1[nH]cc(Br)c2cnccc12
InChIInChI=1S/C8H5BrN2O/c9-7-4-11-8(12)5-1-2-10-3-6(5)7/h1-4H,(H,11,12)
InChIKeyYECQDGSPZMWDCL-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

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Related Compounds

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CID 167300766
4-[(3Z)-penta-1,3-dien-2-yl]-2H-2,7-naphthyridin-1-one
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CID 83829417
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4-bromo-1H-1,7-naphthyridin-2-one
CID 66631901
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(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide
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N-(8-bromoisoquinolin-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2H-2,6-naphthyridin-1-one?
The IUPAC name of 4-bromo-2H-2,6-naphthyridin-1-one (CID 118436923) is 4-bromo-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 4-bromo-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 4-bromo-2H-2,6-naphthyridin-1-one is O=c1[nH]cc(Br)c2cnccc12.
What is the InChIKey of 4-bromo-2H-2,6-naphthyridin-1-one?
The InChIKey is YECQDGSPZMWDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-4-11-8(12)5-1-2-10-3-6(5)7/h1-4H,(H,11,12).
What are the key properties of 4-bromo-2H-2,6-naphthyridin-1-one?
4-bromo-2H-2,6-naphthyridin-1-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 4-bromo-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 118436923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).