4-bromo-6-(trifluoromethyl)isoquinoline

C10H5BrF3N — CID 84750895

IUPAC4-bromo-6-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ccc2cncc(Br)c2c1
InChIInChI=1S/C10H5BrF3N/c11-9-5-15-4-6-1-2-7(3-8(6)9)10(12,13)14/h1-5H
InChIKeyBHLMEFHULAMRLC-UHFFFAOYSA-N
MW276.06 g/mol
LogP4.02
Rot. Bonds

About 4-bromo-6-(trifluoromethyl)isoquinoline

4-bromo-6-(trifluoromethyl)isoquinoline (PubChem CID 84750895) has the molecular formula C10H5BrF3N and a molecular weight of 276.06 g/mol. Its IUPAC name is 4-bromo-6-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name4-bromo-6-(trifluoromethyl)isoquinoline
PubChem CID84750895
Molecular FormulaC10H5BrF3N
Molecular Weight276.06 g/mol
Exact Mass274.96
IUPAC Name4-bromo-6-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1ccc2cncc(Br)c2c1
InChIInChI=1S/C10H5BrF3N/c11-9-5-15-4-6-1-2-7(3-8(6)9)10(12,13)14/h1-5H
InChIKeyBHLMEFHULAMRLC-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-6-(trifluoromethyl)isoquinoline 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 4-bromo-6-(trifluoromethyl)isoquinoline?
The IUPAC name of 4-bromo-6-(trifluoromethyl)isoquinoline (CID 84750895) is 4-bromo-6-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 4-bromo-6-(trifluoromethyl)isoquinoline?
The canonical SMILES for 4-bromo-6-(trifluoromethyl)isoquinoline is FC(F)(F)c1ccc2cncc(Br)c2c1.
What is the InChIKey of 4-bromo-6-(trifluoromethyl)isoquinoline?
The InChIKey is BHLMEFHULAMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N/c11-9-5-15-4-6-1-2-7(3-8(6)9)10(12,13)14/h1-5H.
What are the key properties of 4-bromo-6-(trifluoromethyl)isoquinoline?
4-bromo-6-(trifluoromethyl)isoquinoline has a molecular weight of 276.06 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 84750895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).