3-bromo-1H-1,5-naphthyridin-4-one

C8H5BrN2O — CID 824639

IUPAC3-bromo-1H-1,5-naphthyridin-4-one
SMILESO=c1c(Br)c[nH]c2cccnc12
InChIInChI=1S/C8H5BrN2O/c9-5-4-11-6-2-1-3-10-7(6)8(5)12/h1-4H,(H,11,12)
InChIKeyWFUHSKVVKSKPAI-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.69
Rot. Bonds

About 3-bromo-1H-1,5-naphthyridin-4-one

3-bromo-1H-1,5-naphthyridin-4-one (PubChem CID 824639) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 3-bromo-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name3-bromo-1H-1,5-naphthyridin-4-one
PubChem CID824639
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name3-bromo-1H-1,5-naphthyridin-4-one
SMILESO=c1c(Br)c[nH]c2cccnc12
InChIInChI=1S/C8H5BrN2O/c9-5-4-11-6-2-1-3-10-7(6)8(5)12/h1-4H,(H,11,12)
InChIKeyWFUHSKVVKSKPAI-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

1,5-Naphthyridin-4-ol
CID 224584
3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
6,7-Dibromoquinoline-5,8-dione
CID 255964
6-Amino-7-bromo-5,8-quinolinedione
CID 266923
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
(E)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 2260658
6-(4-Bromoanilino)quinoline-5,8-dione
CID 15537864
(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 41098843
1-(3-Amino-4-methylpyridin-2-YL)ethanone
CID 44533427
7-Amino-6-bromoquinoline-5,8-dione
CID 51049631
(Z)-3-(2-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 156012392
7-Bromoquinoline-5,8-dione
CID 12386161

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-1,5-naphthyridin-4-one?
The IUPAC name of 3-bromo-1H-1,5-naphthyridin-4-one (CID 824639) is 3-bromo-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 3-bromo-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 3-bromo-1H-1,5-naphthyridin-4-one is O=c1c(Br)c[nH]c2cccnc12.
What is the InChIKey of 3-bromo-1H-1,5-naphthyridin-4-one?
The InChIKey is WFUHSKVVKSKPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-4-11-6-2-1-3-10-7(6)8(5)12/h1-4H,(H,11,12).
What are the key properties of 3-bromo-1H-1,5-naphthyridin-4-one?
3-bromo-1H-1,5-naphthyridin-4-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 3-bromo-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 824639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).