8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline

C11H6BrClF3N — CID 82766340

IUPAC8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc(Br)c2nc(C(F)(F)F)cc(Cl)c12
InChIInChI=1S/C11H6BrClF3N/c1-5-2-3-6(12)10-9(5)7(13)4-8(17-10)11(14,15)16/h2-4H,1H3
InChIKeyROPGSRQDNZSCLI-UHFFFAOYSA-N
MW324.53 g/mol
LogP4.98
Rot. Bonds

About 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline

8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline (PubChem CID 82766340) has the molecular formula C11H6BrClF3N and a molecular weight of 324.53 g/mol. Its IUPAC name is 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
PubChem CID82766340
Molecular FormulaC11H6BrClF3N
Molecular Weight324.53 g/mol
Exact Mass322.93
IUPAC Name8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc(Br)c2nc(C(F)(F)F)cc(Cl)c12
InChIInChI=1S/C11H6BrClF3N/c1-5-2-3-6(12)10-9(5)7(13)4-8(17-10)11(14,15)16/h2-4H,1H3
InChIKeyROPGSRQDNZSCLI-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
8-bromo-4-chloro-2-ethyl-5-methylquinoline
CID 82766813
8-bromo-4-chloro-3,5-dimethyl-2-(trifluoromethyl)quinoline
CID 82766418
8-bromo-4-chloro-2,5-dimethylquinazoline
CID 134691884
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791
6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
CID 107792857
[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 107629093

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline (CID 82766340) is 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline is Cc1ccc(Br)c2nc(C(F)(F)F)cc(Cl)c12.
What is the InChIKey of 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is ROPGSRQDNZSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N/c1-5-2-3-6(12)10-9(5)7(13)4-8(17-10)11(14,15)16/h2-4H,1H3.
What are the key properties of 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline?
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 324.53 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 82766340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).