2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline

C11H6Cl2F3N — CID 55175565

IUPAC2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc2cc(Cl)cc(C(F)(F)F)c2nc1Cl
InChIInChI=1S/C11H6Cl2F3N/c1-5-2-6-3-7(12)4-8(11(14,15)16)9(6)17-10(5)13/h2-4H,1H3
InChIKeySERKRNQJSUUMNO-UHFFFAOYSA-N
MW280.08 g/mol
LogP4.87
Rot. Bonds

About 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline

2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline (PubChem CID 55175565) has the molecular formula C11H6Cl2F3N and a molecular weight of 280.08 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline
PubChem CID55175565
Molecular FormulaC11H6Cl2F3N
Molecular Weight280.08 g/mol
Exact Mass278.98
IUPAC Name2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc2cc(Cl)cc(C(F)(F)F)c2nc1Cl
InChIInChI=1S/C11H6Cl2F3N/c1-5-2-6-3-7(12)4-8(11(14,15)16)9(6)17-10(5)13/h2-4H,1H3
InChIKeySERKRNQJSUUMNO-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dichloro-3-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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline (CID 55175565) is 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline is Cc1cc2cc(Cl)cc(C(F)(F)F)c2nc1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is SERKRNQJSUUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N/c1-5-2-6-3-7(12)4-8(11(14,15)16)9(6)17-10(5)13/h2-4H,1H3.
What are the key properties of 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline?
2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 280.08 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 55175565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).