4-bromo-5-methoxy-2-(trifluoromethyl)quinoline

C11H7BrF3NO — CID 11748764

IUPAC4-bromo-5-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2nc(C(F)(F)F)cc(Br)c12
InChIInChI=1S/C11H7BrF3NO/c1-17-8-4-2-3-7-10(8)6(12)5-9(16-7)11(13,14)15/h2-5H,1H3
InChIKeyCERPSGWEQUJVTL-UHFFFAOYSA-N
MW306.08 g/mol
LogP4.02
Rot. Bonds1

About 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline

4-bromo-5-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 11748764) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-(trifluoromethyl)quinoline
PubChem CID11748764
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name4-bromo-5-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2nc(C(F)(F)F)cc(Br)c12
InChIInChI=1S/C11H7BrF3NO/c1-17-8-4-2-3-7-10(8)6(12)5-9(16-7)11(13,14)15/h2-5H,1H3
InChIKeyCERPSGWEQUJVTL-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline (CID 11748764) is 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline is COc1cccc2nc(C(F)(F)F)cc(Br)c12.
What is the InChIKey of 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is CERPSGWEQUJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c1-17-8-4-2-3-7-10(8)6(12)5-9(16-7)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline?
4-bromo-5-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 306.08 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 11748764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).