3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline

C11H6Br2F3N — CID 121236040

IUPAC3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c(Br)c1Br
InChIInChI=1S/C11H6Br2F3N/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)11(14,15)16/h2-4H,1H3
InChIKeyUHTIHPXHBXKIDR-UHFFFAOYSA-N
MW368.98 g/mol
LogP5.09
Rot. Bonds

About 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline

3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline (PubChem CID 121236040) has the molecular formula C11H6Br2F3N and a molecular weight of 368.98 g/mol. Its IUPAC name is 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
PubChem CID121236040
Molecular FormulaC11H6Br2F3N
Molecular Weight368.98 g/mol
Exact Mass366.88
IUPAC Name3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1nc2c(C(F)(F)F)cccc2c(Br)c1Br
InChIInChI=1S/C11H6Br2F3N/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)11(14,15)16/h2-4H,1H3
InChIKeyUHTIHPXHBXKIDR-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.98
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
CID 121236039
3,4-dibromo-2-methylquinolin-8-ol
CID 149162585
4-chloro-3-(2-chloroethyl)-2-methyl-8-(trifluoromethyl)quinoline
CID 1481917
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
[4-methyl-8-(trifluoromethyl)quinolin-2-yl]methanamine
CID 82573650
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
4-methoxy-2-methyl-8-(trifluoromethyl)quinazolin-3-ium
CID 20674231
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline
CID 86646980
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
4-(3-bromophenyl)-8-(trifluoromethyl)quinolin-2-amine
CID 68876901

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline (CID 121236040) is 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline is Cc1nc2c(C(F)(F)F)cccc2c(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is UHTIHPXHBXKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F3N/c1-5-8(12)9(13)6-3-2-4-7(10(6)17-5)11(14,15)16/h2-4H,1H3.
What are the key properties of 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline?
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 368.98 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 121236040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).