5-bromo-8-nitro-1H-quinolin-2-one

C9H5BrN2O3 — CID 146673558

IUPAC5-bromo-8-nitro-1H-quinolin-2-one
SMILESO=c1ccc2c(Br)ccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C9H5BrN2O3/c10-6-2-3-7(12(14)15)9-5(6)1-4-8(13)11-9/h1-4H,(H,11,13)
InChIKeyNOTACWCQZVUYOJ-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.20
Rot. Bonds1

About 5-bromo-8-nitro-1H-quinolin-2-one

5-bromo-8-nitro-1H-quinolin-2-one (PubChem CID 146673558) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 5-bromo-8-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-8-nitro-1H-quinolin-2-one
PubChem CID146673558
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name5-bromo-8-nitro-1H-quinolin-2-one
SMILESO=c1ccc2c(Br)ccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C9H5BrN2O3/c10-6-2-3-7(12(14)15)9-5(6)1-4-8(13)11-9/h1-4H,(H,11,13)
InChIKeyNOTACWCQZVUYOJ-UHFFFAOYSA-N
XLogP2.20
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-bromo-8-nitro-1H-quinolin-2-one
CID 155551929
4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
CID 118728040
5-bromo-8-nitro-2H-isoquinolin-1-one
CID 82572170
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
CID 118703417
4-bromo-2-methyl-7-nitro-1-benzothiophene
CID 130805694
8-bromo-5-(trifluoromethyl)-1H-quinolin-2-one
CID 169499706
2,4-dibromo-7-nitro-1-benzothiophene
CID 130826552
7-bromo-4-nitro-2H-isoindol-1-ol
CID 91229575
1-bromo-3-(bromomethyl)-2-methoxy-4-nitrobenzene
CID 171007882
8-nitro-1H-3,1-benzoxazine-2,4-dione
CID 10899806
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-nitro-1H-quinolin-2-one?
The IUPAC name of 5-bromo-8-nitro-1H-quinolin-2-one (CID 146673558) is 5-bromo-8-nitro-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-8-nitro-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-8-nitro-1H-quinolin-2-one is O=c1ccc2c(Br)ccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 5-bromo-8-nitro-1H-quinolin-2-one?
The InChIKey is NOTACWCQZVUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c10-6-2-3-7(12(14)15)9-5(6)1-4-8(13)11-9/h1-4H,(H,11,13).
What are the key properties of 5-bromo-8-nitro-1H-quinolin-2-one?
5-bromo-8-nitro-1H-quinolin-2-one has a molecular weight of 269.05 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-nitro-1H-quinolin-2-one is sourced from PubChem (CID 146673558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).