6-bromo-2-(tribromomethyl)quinoline

C10H5Br4N — CID 59321582

IUPAC6-bromo-2-(tribromomethyl)quinoline
SMILESBrc1ccc2nc(C(Br)(Br)Br)ccc2c1
InChIInChI=1S/C10H5Br4N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h1-5H
InChIKeyBDVYXAPNHCUMKB-UHFFFAOYSA-N
MW458.77 g/mol
LogP5.29
Rot. Bonds

About 6-bromo-2-(tribromomethyl)quinoline

6-bromo-2-(tribromomethyl)quinoline (PubChem CID 59321582) has the molecular formula C10H5Br4N and a molecular weight of 458.77 g/mol. Its IUPAC name is 6-bromo-2-(tribromomethyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-(tribromomethyl)quinoline
PubChem CID59321582
Molecular FormulaC10H5Br4N
Molecular Weight458.77 g/mol
Exact Mass454.72
IUPAC Name6-bromo-2-(tribromomethyl)quinoline
SMILESBrc1ccc2nc(C(Br)(Br)Br)ccc2c1
InChIInChI=1S/C10H5Br4N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h1-5H
InChIKeyBDVYXAPNHCUMKB-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(tribromomethyl)quinoline?
The IUPAC name of 6-bromo-2-(tribromomethyl)quinoline (CID 59321582) is 6-bromo-2-(tribromomethyl)quinoline.
What is the SMILES notation for 6-bromo-2-(tribromomethyl)quinoline?
The canonical SMILES for 6-bromo-2-(tribromomethyl)quinoline is Brc1ccc2nc(C(Br)(Br)Br)ccc2c1.
What is the InChIKey of 6-bromo-2-(tribromomethyl)quinoline?
The InChIKey is BDVYXAPNHCUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br4N/c11-7-2-3-8-6(5-7)1-4-9(15-8)10(12,13)14/h1-5H.
What are the key properties of 6-bromo-2-(tribromomethyl)quinoline?
6-bromo-2-(tribromomethyl)quinoline has a molecular weight of 458.77 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(tribromomethyl)quinoline is sourced from PubChem (CID 59321582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).