4,8-dibromo-5-fluoroquinoline

C9H4Br2FN — CID 107627841

IUPAC4,8-dibromo-5-fluoroquinoline
SMILESFc1ccc(Br)c2nccc(Br)c12
InChIInChI=1S/C9H4Br2FN/c10-5-3-4-13-9-6(11)1-2-7(12)8(5)9/h1-4H
InChIKeyQMBFFTSHRCCDDM-UHFFFAOYSA-N
MW304.94 g/mol
LogP3.90
Rot. Bonds

About 4,8-dibromo-5-fluoroquinoline

4,8-dibromo-5-fluoroquinoline (PubChem CID 107627841) has the molecular formula C9H4Br2FN and a molecular weight of 304.94 g/mol. Its IUPAC name is 4,8-dibromo-5-fluoroquinoline.

Molecular Properties

Compound Name4,8-dibromo-5-fluoroquinoline
PubChem CID107627841
Molecular FormulaC9H4Br2FN
Molecular Weight304.94 g/mol
Exact Mass302.87
IUPAC Name4,8-dibromo-5-fluoroquinoline
SMILESFc1ccc(Br)c2nccc(Br)c12
InChIInChI=1S/C9H4Br2FN/c10-5-3-4-13-9-6(11)1-2-7(12)8(5)9/h1-4H
InChIKeyQMBFFTSHRCCDDM-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.94
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,8-tribromoquinoline
CID 114764035
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
5-bromo-1-chloro-8-fluoroisoquinoline
CID 82571491
8-bromo-5-fluoro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]quinolin-4-amine
CID 124848313
8-bromo-5-fluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]quinolin-4-amine
CID 124848310
4-bromo-5,6,7-trifluoroquinoline
CID 114764064
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058757
5,8-difluoro-4-methylquinoline
CID 82580898
8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine
CID 166349132
5-bromo-4,8-dichloroquinoline
CID 62908568
4-bromo-8-fluoro-6-methylquinoline
CID 114764008
8-bromo-5-fluoro-2,4-dimethylquinoline
CID 46236379

Frequently Asked Questions

What is the IUPAC name of 4,8-dibromo-5-fluoroquinoline?
The IUPAC name of 4,8-dibromo-5-fluoroquinoline (CID 107627841) is 4,8-dibromo-5-fluoroquinoline.
What is the SMILES notation for 4,8-dibromo-5-fluoroquinoline?
The canonical SMILES for 4,8-dibromo-5-fluoroquinoline is Fc1ccc(Br)c2nccc(Br)c12.
What is the InChIKey of 4,8-dibromo-5-fluoroquinoline?
The InChIKey is QMBFFTSHRCCDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2FN/c10-5-3-4-13-9-6(11)1-2-7(12)8(5)9/h1-4H.
What are the key properties of 4,8-dibromo-5-fluoroquinoline?
4,8-dibromo-5-fluoroquinoline has a molecular weight of 304.94 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dibromo-5-fluoroquinoline is sourced from PubChem (CID 107627841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).