6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline

C11H6BrClF3NO — CID 171373322

IUPAC6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
SMILESCc1cnc2c(OC(F)(F)F)cc(Br)cc2c1Cl
InChIInChI=1S/C11H6BrClF3NO/c1-5-4-17-10-7(9(5)13)2-6(12)3-8(10)18-11(14,15)16/h2-4H,1H3
InChIKeyTWSMKLJLHUYFQG-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.86
Rot. Bonds1

About 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline

6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline (PubChem CID 171373322) has the molecular formula C11H6BrClF3NO and a molecular weight of 340.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
PubChem CID171373322
Molecular FormulaC11H6BrClF3NO
Molecular Weight340.53 g/mol
Exact Mass338.93
IUPAC Name6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
SMILESCc1cnc2c(OC(F)(F)F)cc(Br)cc2c1Cl
InChIInChI=1S/C11H6BrClF3NO/c1-5-4-17-10-7(9(5)13)2-6(12)3-8(10)18-11(14,15)16/h2-4H,1H3
InChIKeyTWSMKLJLHUYFQG-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411
4-bromo-2-methyl-6-(trifluoromethoxy)phenol;ethane
CID 144770894
7-bromo-4-chloro-3,6,8-trimethylquinoline
CID 171373456
8-bromo-4-chloro-6,7-difluoro-3-methylquinoline
CID 171373376
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
CID 171373414
8-bromo-6-tert-butyl-4-chloro-3-methylquinoline
CID 171373399
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
CID 125426292
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline?
The IUPAC name of 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline (CID 171373322) is 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline.
What is the SMILES notation for 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline?
The canonical SMILES for 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline is Cc1cnc2c(OC(F)(F)F)cc(Br)cc2c1Cl.
What is the InChIKey of 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline?
The InChIKey is TWSMKLJLHUYFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NO/c1-5-4-17-10-7(9(5)13)2-6(12)3-8(10)18-11(14,15)16/h2-4H,1H3.
What are the key properties of 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline?
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline has a molecular weight of 340.53 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline is sourced from PubChem (CID 171373322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).