3-bromo-9-fluoroquinolizin-4-one

C9H5BrFNO — CID 115044533

IUPAC3-bromo-9-fluoroquinolizin-4-one
SMILESO=c1c(Br)ccc2c(F)cccn12
InChIInChI=1S/C9H5BrFNO/c10-6-3-4-8-7(11)2-1-5-12(8)9(6)13/h1-5H
InChIKeyMWGKXCKNFMKQAI-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.20
Rot. Bonds

About 3-bromo-9-fluoroquinolizin-4-one

3-bromo-9-fluoroquinolizin-4-one (PubChem CID 115044533) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 3-bromo-9-fluoroquinolizin-4-one.

Molecular Properties

Compound Name3-bromo-9-fluoroquinolizin-4-one
PubChem CID115044533
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name3-bromo-9-fluoroquinolizin-4-one
SMILESO=c1c(Br)ccc2c(F)cccn12
InChIInChI=1S/C9H5BrFNO/c10-6-3-4-8-7(11)2-1-5-12(8)9(6)13/h1-5H
InChIKeyMWGKXCKNFMKQAI-UHFFFAOYSA-N
XLogP2.20
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-fluoroquinolizin-4-one?
The IUPAC name of 3-bromo-9-fluoroquinolizin-4-one (CID 115044533) is 3-bromo-9-fluoroquinolizin-4-one.
What is the SMILES notation for 3-bromo-9-fluoroquinolizin-4-one?
The canonical SMILES for 3-bromo-9-fluoroquinolizin-4-one is O=c1c(Br)ccc2c(F)cccn12.
What is the InChIKey of 3-bromo-9-fluoroquinolizin-4-one?
The InChIKey is MWGKXCKNFMKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-6-3-4-8-7(11)2-1-5-12(8)9(6)13/h1-5H.
What are the key properties of 3-bromo-9-fluoroquinolizin-4-one?
3-bromo-9-fluoroquinolizin-4-one has a molecular weight of 242.05 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-fluoroquinolizin-4-one is sourced from PubChem (CID 115044533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).