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

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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).