8-bromo-5-fluoro-2,4-dimethylquinoline

C11H9BrFN — CID 46236379

IUPAC8-bromo-5-fluoro-2,4-dimethylquinoline
SMILESCc1cc(C)c2c(F)ccc(Br)c2n1
InChIInChI=1S/C11H9BrFN/c1-6-5-7(2)14-11-8(12)3-4-9(13)10(6)11/h3-5H,1-2H3
InChIKeyWJJYZGPFZJLNTA-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.75
Rot. Bonds

About 8-bromo-5-fluoro-2,4-dimethylquinoline

8-bromo-5-fluoro-2,4-dimethylquinoline (PubChem CID 46236379) has the molecular formula C11H9BrFN and a molecular weight of 254.10 g/mol. Its IUPAC name is 8-bromo-5-fluoro-2,4-dimethylquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-2,4-dimethylquinoline
PubChem CID46236379
Molecular FormulaC11H9BrFN
Molecular Weight254.10 g/mol
Exact Mass252.99
IUPAC Name8-bromo-5-fluoro-2,4-dimethylquinoline
SMILESCc1cc(C)c2c(F)ccc(Br)c2n1
InChIInChI=1S/C11H9BrFN/c1-6-5-7(2)14-11-8(12)3-4-9(13)10(6)11/h3-5H,1-2H3
InChIKeyWJJYZGPFZJLNTA-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-2,4-dimethylquinoline?
The IUPAC name of 8-bromo-5-fluoro-2,4-dimethylquinoline (CID 46236379) is 8-bromo-5-fluoro-2,4-dimethylquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-2,4-dimethylquinoline?
The canonical SMILES for 8-bromo-5-fluoro-2,4-dimethylquinoline is Cc1cc(C)c2c(F)ccc(Br)c2n1.
What is the InChIKey of 8-bromo-5-fluoro-2,4-dimethylquinoline?
The InChIKey is WJJYZGPFZJLNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN/c1-6-5-7(2)14-11-8(12)3-4-9(13)10(6)11/h3-5H,1-2H3.
What are the key properties of 8-bromo-5-fluoro-2,4-dimethylquinoline?
8-bromo-5-fluoro-2,4-dimethylquinoline has a molecular weight of 254.10 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-2,4-dimethylquinoline is sourced from PubChem (CID 46236379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).