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

C10H4BrClF3N — CID 2778682

IUPAC6-bromo-4-chloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
InChIKeyJKEQQFAWABXNFV-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.67
Rot. Bonds

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

6-bromo-4-chloro-2-(trifluoromethyl)quinoline (PubChem CID 2778682) has the molecular formula C10H4BrClF3N and a molecular weight of 310.50 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(trifluoromethyl)quinoline
PubChem CID2778682
Molecular FormulaC10H4BrClF3N
Molecular Weight310.50 g/mol
Exact Mass308.92
IUPAC Name6-bromo-4-chloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
InChIKeyJKEQQFAWABXNFV-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-bromo-4-chloro-2-(trifluoromethyl)quinoline (CID 2778682) is 6-bromo-4-chloro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-bromo-4-chloro-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Cl)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-chloro-2-(trifluoromethyl)quinoline?
The InChIKey is JKEQQFAWABXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H.
What are the key properties of 6-bromo-4-chloro-2-(trifluoromethyl)quinoline?
6-bromo-4-chloro-2-(trifluoromethyl)quinoline has a molecular weight of 310.50 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2778682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).