8-bromo-6-fluoro-5-methoxy-2-methylquinoline

C11H9BrFNO — CID 22326732

IUPAC8-bromo-6-fluoro-5-methoxy-2-methylquinoline
SMILESCOc1c(F)cc(Br)c2nc(C)ccc12
InChIInChI=1S/C11H9BrFNO/c1-6-3-4-7-10(14-6)8(12)5-9(13)11(7)15-2/h3-5H,1-2H3
InChIKeyDMUQPSMFWMWSRR-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.45
Rot. Bonds1

About 8-bromo-6-fluoro-5-methoxy-2-methylquinoline

8-bromo-6-fluoro-5-methoxy-2-methylquinoline (PubChem CID 22326732) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 8-bromo-6-fluoro-5-methoxy-2-methylquinoline.

Molecular Properties

Compound Name8-bromo-6-fluoro-5-methoxy-2-methylquinoline
PubChem CID22326732
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name8-bromo-6-fluoro-5-methoxy-2-methylquinoline
SMILESCOc1c(F)cc(Br)c2nc(C)ccc12
InChIInChI=1S/C11H9BrFNO/c1-6-3-4-7-10(14-6)8(12)5-9(13)11(7)15-2/h3-5H,1-2H3
InChIKeyDMUQPSMFWMWSRR-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-5-methoxy-2-methylquinoline?
The IUPAC name of 8-bromo-6-fluoro-5-methoxy-2-methylquinoline (CID 22326732) is 8-bromo-6-fluoro-5-methoxy-2-methylquinoline.
What is the SMILES notation for 8-bromo-6-fluoro-5-methoxy-2-methylquinoline?
The canonical SMILES for 8-bromo-6-fluoro-5-methoxy-2-methylquinoline is COc1c(F)cc(Br)c2nc(C)ccc12.
What is the InChIKey of 8-bromo-6-fluoro-5-methoxy-2-methylquinoline?
The InChIKey is DMUQPSMFWMWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-6-3-4-7-10(14-6)8(12)5-9(13)11(7)15-2/h3-5H,1-2H3.
What are the key properties of 8-bromo-6-fluoro-5-methoxy-2-methylquinoline?
8-bromo-6-fluoro-5-methoxy-2-methylquinoline has a molecular weight of 270.10 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-5-methoxy-2-methylquinoline is sourced from PubChem (CID 22326732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).