(3-nitro-2-oxo-1H-quinolin-4-yl) bromate

C9H5BrN2O6 — CID 141419384

IUPAC(3-nitro-2-oxo-1H-quinolin-4-yl) bromate
SMILESO=c1[nH]c2ccccc2c(O[Br+2]([O-])[O-])c1[N+](=O)[O-]
InChIInChI=1S/C9H5BrN2O6/c13-9-7(12(16)17)8(18-10(14)15)5-3-1-2-4-6(5)11-9/h1-4H,(H,11,13)
InChIKeyWEHXQMANWNJDOZ-UHFFFAOYSA-N
MW317.05 g/mol
LogP-1.10
Rot. Bonds3

About (3-nitro-2-oxo-1H-quinolin-4-yl) bromate

(3-nitro-2-oxo-1H-quinolin-4-yl) bromate (PubChem CID 141419384) has the molecular formula C9H5BrN2O6 and a molecular weight of 317.05 g/mol. Its IUPAC name is (3-nitro-2-oxo-1H-quinolin-4-yl) bromate.

Molecular Properties

Compound Name(3-nitro-2-oxo-1H-quinolin-4-yl) bromate
PubChem CID141419384
Molecular FormulaC9H5BrN2O6
Molecular Weight317.05 g/mol
Exact Mass315.93
IUPAC Name(3-nitro-2-oxo-1H-quinolin-4-yl) bromate
SMILESO=c1[nH]c2ccccc2c(O[Br+2]([O-])[O-])c1[N+](=O)[O-]
InChIInChI=1S/C9H5BrN2O6/c13-9-7(12(16)17)8(18-10(14)15)5-3-1-2-4-6(5)11-9/h1-4H,(H,11,13)
InChIKeyWEHXQMANWNJDOZ-UHFFFAOYSA-N
XLogP-1.10
TPSA131.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-nitro-1H-indole
CID 66764550
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
3-nitro-2-thiophen-2-yl-1H-indole
CID 102172712
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
CID 54696489
7-fluoro-6-methoxy-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 10682422
4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
CID 54705774
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
1-chloro-3-nitro-9H-carbazole
CID 155673987
10H-acridin-9-one
CID 22753806
3-methyl-2H-isoquinolin-1-one;3-methyl-4-nitro-2H-isoquinolin-1-one
CID 160598821

Frequently Asked Questions

What is the IUPAC name of (3-nitro-2-oxo-1H-quinolin-4-yl) bromate?
The IUPAC name of (3-nitro-2-oxo-1H-quinolin-4-yl) bromate (CID 141419384) is (3-nitro-2-oxo-1H-quinolin-4-yl) bromate.
What is the SMILES notation for (3-nitro-2-oxo-1H-quinolin-4-yl) bromate?
The canonical SMILES for (3-nitro-2-oxo-1H-quinolin-4-yl) bromate is O=c1[nH]c2ccccc2c(O[Br+2]([O-])[O-])c1[N+](=O)[O-].
What is the InChIKey of (3-nitro-2-oxo-1H-quinolin-4-yl) bromate?
The InChIKey is WEHXQMANWNJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O6/c13-9-7(12(16)17)8(18-10(14)15)5-3-1-2-4-6(5)11-9/h1-4H,(H,11,13).
What are the key properties of (3-nitro-2-oxo-1H-quinolin-4-yl) bromate?
(3-nitro-2-oxo-1H-quinolin-4-yl) bromate has a molecular weight of 317.05 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-2-oxo-1H-quinolin-4-yl) bromate is sourced from PubChem (CID 141419384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).