6-bromo-3-(trifluoromethyl)isoquinoline

C10H5BrF3N — CID 154827809

IUPAC6-bromo-3-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1cc2cc(Br)ccc2cn1
InChIInChI=1S/C10H5BrF3N/c11-8-2-1-6-5-15-9(10(12,13)14)4-7(6)3-8/h1-5H
InChIKeyAIRQYRLWPZRVEO-UHFFFAOYSA-N
MW276.06 g/mol
LogP4.02
Rot. Bonds

About 6-bromo-3-(trifluoromethyl)isoquinoline

6-bromo-3-(trifluoromethyl)isoquinoline (PubChem CID 154827809) has the molecular formula C10H5BrF3N and a molecular weight of 276.06 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethyl)isoquinoline
PubChem CID154827809
Molecular FormulaC10H5BrF3N
Molecular Weight276.06 g/mol
Exact Mass274.96
IUPAC Name6-bromo-3-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1cc2cc(Br)ccc2cn1
InChIInChI=1S/C10H5BrF3N/c11-8-2-1-6-5-15-9(10(12,13)14)4-7(6)3-8/h1-5H
InChIKeyAIRQYRLWPZRVEO-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethyl)isoquinoline?
The IUPAC name of 6-bromo-3-(trifluoromethyl)isoquinoline (CID 154827809) is 6-bromo-3-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 6-bromo-3-(trifluoromethyl)isoquinoline?
The canonical SMILES for 6-bromo-3-(trifluoromethyl)isoquinoline is FC(F)(F)c1cc2cc(Br)ccc2cn1.
What is the InChIKey of 6-bromo-3-(trifluoromethyl)isoquinoline?
The InChIKey is AIRQYRLWPZRVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N/c11-8-2-1-6-5-15-9(10(12,13)14)4-7(6)3-8/h1-5H.
What are the key properties of 6-bromo-3-(trifluoromethyl)isoquinoline?
6-bromo-3-(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 6-bromo-3-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 154827809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).