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

C11H7BrF3NO — CID 627946

IUPAC6-bromo-4-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C11H7BrF3NO/c1-17-9-5-10(11(13,14)15)16-8-3-2-6(12)4-7(8)9/h2-5H,1H3
InChIKeyJTWZUMVZVZTCLF-UHFFFAOYSA-N
MW306.08 g/mol
LogP4.02
Rot. Bonds1

About 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline

6-bromo-4-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 627946) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-bromo-4-methoxy-2-(trifluoromethyl)quinoline
PubChem CID627946
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name6-bromo-4-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C(F)(F)F)nc2ccc(Br)cc12
InChIInChI=1S/C11H7BrF3NO/c1-17-9-5-10(11(13,14)15)16-8-3-2-6(12)4-7(8)9/h2-5H,1H3
InChIKeyJTWZUMVZVZTCLF-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 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline (CID 627946) is 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline is COc1cc(C(F)(F)F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is JTWZUMVZVZTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c1-17-9-5-10(11(13,14)15)16-8-3-2-6(12)4-7(8)9/h2-5H,1H3.
What are the key properties of 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline?
6-bromo-4-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 6-bromo-4-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 627946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).