6-bromo-8-fluoro-1H-quinolin-4-one

C9H5BrFNO — CID 43532004

IUPAC6-bromo-8-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C9H5BrFNO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
InChIKeyWDEWJCNNJOEGHB-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.43
Rot. Bonds

About 6-bromo-8-fluoro-1H-quinolin-4-one

6-bromo-8-fluoro-1H-quinolin-4-one (PubChem CID 43532004) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 6-bromo-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-8-fluoro-1H-quinolin-4-one
PubChem CID43532004
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name6-bromo-8-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cc(Br)cc12
InChIInChI=1S/C9H5BrFNO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
InChIKeyWDEWJCNNJOEGHB-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-8-fluoro-1H-quinolin-4-one (CID 43532004) is 6-bromo-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-8-fluoro-1H-quinolin-4-one is O=c1cc[nH]c2c(F)cc(Br)cc12.
What is the InChIKey of 6-bromo-8-fluoro-1H-quinolin-4-one?
The InChIKey is WDEWJCNNJOEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13).
What are the key properties of 6-bromo-8-fluoro-1H-quinolin-4-one?
6-bromo-8-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 6-bromo-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 43532004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).