6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one

C9H4BrFN2O3 — CID 163217843

IUPAC6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2ccc(Br)c(F)c12
InChIInChI=1S/C9H4BrFN2O3/c10-4-1-2-5-7(8(4)11)9(14)6(3-12-5)13(15)16/h1-3H,(H,12,14)
InChIKeyUPLIQANYKMHUPB-UHFFFAOYSA-N
MW287.04 g/mol
LogP2.34
Rot. Bonds1

About 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one

6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one (PubChem CID 163217843) has the molecular formula C9H4BrFN2O3 and a molecular weight of 287.04 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one
PubChem CID163217843
Molecular FormulaC9H4BrFN2O3
Molecular Weight287.04 g/mol
Exact Mass285.94
IUPAC Name6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2ccc(Br)c(F)c12
InChIInChI=1S/C9H4BrFN2O3/c10-4-1-2-5-7(8(4)11)9(14)6(3-12-5)13(15)16/h1-3H,(H,12,14)
InChIKeyUPLIQANYKMHUPB-UHFFFAOYSA-N
XLogP2.34
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 52.34
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

5-chloro-3-nitro-1H-quinolin-4-one
CID 131861739
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
CID 118703417
7-bromo-4-nitro-2H-isoindol-1-ol
CID 91229575
1-bromo-2-fluoro-4-nitro-3-(trifluoromethylsulfanyl)benzene
CID 118819105
6-bromo-2-fluoro-3-nitrobenzenethiol
CID 130730617
6-fluoro-5-nitro-4-oxo-1H-quinoline-3-carboxylic acid
CID 22671474
3-nitro-5-(1,1,1-trifluoropropan-2-yl)-1H-pyrrolo[3,2-c]pyridin-4-one
CID 171436775
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
methyl 3-bromo-5-fluoro-4-oxo-1H-quinoline-6-carboxylate
CID 166772116
5-bromo-8-nitro-2H-isoquinolin-1-one
CID 82572170
1-bromo-3-(difluoromethoxy)-2-fluoro-4-nitrobenzene
CID 118813557
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 53413145

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one (CID 163217843) is 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one is O=c1c([N+](=O)[O-])c[nH]c2ccc(Br)c(F)c12.
What is the InChIKey of 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one?
The InChIKey is UPLIQANYKMHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2O3/c10-4-1-2-5-7(8(4)11)9(14)6(3-12-5)13(15)16/h1-3H,(H,12,14).
What are the key properties of 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one?
6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one has a molecular weight of 287.04 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one is sourced from PubChem (CID 163217843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).