2-bromo-7-fluoro-1H-quinolin-4-one

C9H5BrFNO — CID 133056060

IUPAC2-bromo-7-fluoro-1H-quinolin-4-one
SMILESO=c1cc(Br)[nH]c2cc(F)ccc12
InChIInChI=1S/C9H5BrFNO/c10-9-4-8(13)6-2-1-5(11)3-7(6)12-9/h1-4H,(H,12,13)
InChIKeyUFDKRGSHFLGWBP-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.43
Rot. Bonds

About 2-bromo-7-fluoro-1H-quinolin-4-one

2-bromo-7-fluoro-1H-quinolin-4-one (PubChem CID 133056060) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 2-bromo-7-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-bromo-7-fluoro-1H-quinolin-4-one
PubChem CID133056060
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name2-bromo-7-fluoro-1H-quinolin-4-one
SMILESO=c1cc(Br)[nH]c2cc(F)ccc12
InChIInChI=1S/C9H5BrFNO/c10-9-4-8(13)6-2-1-5(11)3-7(6)12-9/h1-4H,(H,12,13)
InChIKeyUFDKRGSHFLGWBP-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4-oxo-1H-quinoline-2-carbaldehyde
CID 91619062
7-fluoro-2-(2-fluorophenyl)-1H-quinolin-4-one
CID 123702147
7-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 103996038
2-cyclopentyl-7-fluoro-1H-quinolin-4-one
CID 113390333
3-bromo-6-fluoro-1H-indole-2-carbaldehyde
CID 115044531
2-bromo-5-fluoro-1H-indole
CID 84680101
7-fluoro-3,5-dihydro-2H-pyridazino[4,5-b]quinoline-1,4,10-trione
CID 18929961
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
CID 14624971
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 84619808
7-fluoro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 84739792
7-fluoro-1H-quinolin-2-one
CID 19067575

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-bromo-7-fluoro-1H-quinolin-4-one (CID 133056060) is 2-bromo-7-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-bromo-7-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-bromo-7-fluoro-1H-quinolin-4-one is O=c1cc(Br)[nH]c2cc(F)ccc12.
What is the InChIKey of 2-bromo-7-fluoro-1H-quinolin-4-one?
The InChIKey is UFDKRGSHFLGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-9-4-8(13)6-2-1-5(11)3-7(6)12-9/h1-4H,(H,12,13).
What are the key properties of 2-bromo-7-fluoro-1H-quinolin-4-one?
2-bromo-7-fluoro-1H-quinolin-4-one has a molecular weight of 242.05 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 133056060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).