5-bromo-6,8-difluoro-1H-quinolin-2-one

C9H4BrF2NO — CID 102855155

IUPAC5-bromo-6,8-difluoro-1H-quinolin-2-one
SMILESO=c1ccc2c(Br)c(F)cc(F)c2[nH]1
InChIInChI=1S/C9H4BrF2NO/c10-8-4-1-2-7(14)13-9(4)6(12)3-5(8)11/h1-3H,(H,13,14)
InChIKeyGGAALMGBVSHODK-UHFFFAOYSA-N
MW260.04 g/mol
LogP2.57
Rot. Bonds

About 5-bromo-6,8-difluoro-1H-quinolin-2-one

5-bromo-6,8-difluoro-1H-quinolin-2-one (PubChem CID 102855155) has the molecular formula C9H4BrF2NO and a molecular weight of 260.04 g/mol. Its IUPAC name is 5-bromo-6,8-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-6,8-difluoro-1H-quinolin-2-one
PubChem CID102855155
Molecular FormulaC9H4BrF2NO
Molecular Weight260.04 g/mol
Exact Mass258.94
IUPAC Name5-bromo-6,8-difluoro-1H-quinolin-2-one
SMILESO=c1ccc2c(Br)c(F)cc(F)c2[nH]1
InChIInChI=1S/C9H4BrF2NO/c10-8-4-1-2-7(14)13-9(4)6(12)3-5(8)11/h1-3H,(H,13,14)
InChIKeyGGAALMGBVSHODK-UHFFFAOYSA-N
XLogP2.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6,8-dibromo-1H-quinolin-2-one
CID 53399157
8-bromo-5-(trifluoromethyl)-1H-quinolin-2-one
CID 169499706
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
1H-benzo[h]quinolin-2-one
CID 12539195
6-bromo-8-fluoro-2-phenyl-1H-quinolin-4-one
CID 43668193
8-fluoro-6-propanoyl-1H-quinolin-2-one
CID 82212911
8-bromo-6-chloro-1H-quinolin-2-one
CID 81272746
4-bromo-5-fluoro-7-methyl-1H-indole
CID 74888584
8-bromo-7-methoxy-1H-quinolin-2-one
CID 169499503
6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
CID 43668195
5,6,7,8-tetrachloro-1H-quinolin-2-one
CID 141287332
8-bromo-6-tert-butyl-1H-quinolin-2-one
CID 59476191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,8-difluoro-1H-quinolin-2-one?
The IUPAC name of 5-bromo-6,8-difluoro-1H-quinolin-2-one (CID 102855155) is 5-bromo-6,8-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-6,8-difluoro-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-6,8-difluoro-1H-quinolin-2-one is O=c1ccc2c(Br)c(F)cc(F)c2[nH]1.
What is the InChIKey of 5-bromo-6,8-difluoro-1H-quinolin-2-one?
The InChIKey is GGAALMGBVSHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2NO/c10-8-4-1-2-7(14)13-9(4)6(12)3-5(8)11/h1-3H,(H,13,14).
What are the key properties of 5-bromo-6,8-difluoro-1H-quinolin-2-one?
5-bromo-6,8-difluoro-1H-quinolin-2-one has a molecular weight of 260.04 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,8-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 102855155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).