8-bromo-3-nitro-3H-quinolin-2-one

C9H5BrN2O3 — CID 178188743

IUPAC8-bromo-3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2c(Br)cccc2=CC1[N+](=O)[O-]
InChIInChI=1S/C9H5BrN2O3/c10-6-3-1-2-5-4-7(12(14)15)9(13)11-8(5)6/h1-4,7H
InChIKeyLQXMGXCVUGSKAC-UHFFFAOYSA-N
MW269.05 g/mol
LogP0.03
Rot. Bonds1

About 8-bromo-3-nitro-3H-quinolin-2-one

8-bromo-3-nitro-3H-quinolin-2-one (PubChem CID 178188743) has the molecular formula C9H5BrN2O3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 8-bromo-3-nitro-3H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-3-nitro-3H-quinolin-2-one
PubChem CID178188743
Molecular FormulaC9H5BrN2O3
Molecular Weight269.05 g/mol
Exact Mass267.95
IUPAC Name8-bromo-3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2c(Br)cccc2=CC1[N+](=O)[O-]
InChIInChI=1S/C9H5BrN2O3/c10-6-3-1-2-5-4-7(12(14)15)9(13)11-8(5)6/h1-4,7H
InChIKeyLQXMGXCVUGSKAC-UHFFFAOYSA-N
XLogP0.03
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 50.03
H-Bond Donors ≤ 50
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

4-chloro-3-nitro-3H-quinolin-2-one
CID 90811077
3-nitro-3H-quinolin-2-one
CID 45025452

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-nitro-3H-quinolin-2-one?
The IUPAC name of 8-bromo-3-nitro-3H-quinolin-2-one (CID 178188743) is 8-bromo-3-nitro-3H-quinolin-2-one.
What is the SMILES notation for 8-bromo-3-nitro-3H-quinolin-2-one?
The canonical SMILES for 8-bromo-3-nitro-3H-quinolin-2-one is O=C1N=c2c(Br)cccc2=CC1[N+](=O)[O-].
What is the InChIKey of 8-bromo-3-nitro-3H-quinolin-2-one?
The InChIKey is LQXMGXCVUGSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3/c10-6-3-1-2-5-4-7(12(14)15)9(13)11-8(5)6/h1-4,7H.
What are the key properties of 8-bromo-3-nitro-3H-quinolin-2-one?
8-bromo-3-nitro-3H-quinolin-2-one has a molecular weight of 269.05 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-nitro-3H-quinolin-2-one is sourced from PubChem (CID 178188743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).