3,6,8-tribromoquinoline

C9H4Br3N — CID 91172401

IUPAC3,6,8-tribromoquinoline
SMILESBrc1cnc2c(Br)cc(Br)cc2c1
InChIInChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H
InChIKeyBWLLHQAEWSCQSO-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.52
Rot. Bonds

About 3,6,8-tribromoquinoline

3,6,8-tribromoquinoline (PubChem CID 91172401) has the molecular formula C9H4Br3N and a molecular weight of 365.85 g/mol. Its IUPAC name is 3,6,8-tribromoquinoline.

Molecular Properties

Compound Name3,6,8-tribromoquinoline
PubChem CID91172401
Molecular FormulaC9H4Br3N
Molecular Weight365.85 g/mol
Exact Mass362.79
IUPAC Name3,6,8-tribromoquinoline
SMILESBrc1cnc2c(Br)cc(Br)cc2c1
InChIInChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H
InChIKeyBWLLHQAEWSCQSO-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6,8-tribromoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,8-dibromoquinolin-6-yl)oxy-2-methoxyacetic acid
CID 68715048
3,5,7-tribromoquinoline
CID 171475874
4,6,8-tribromo-3-chloroquinoline
CID 114764037
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
CID 63530380
3,8-dibromo-1,7-phenanthroline
CID 53249205
2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
CID 138755822
3,5-dibromo-2-(fluoromethyl)pyridine
CID 149128897
6-bromo-1H-pyrido[2,3-d]pyrimidin-2-one
CID 118036732
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119
3-bromo-7-methyl-1,7-naphthyridin-8-one
CID 170753953
3-bromo-8-chloroquinoline;tetramethylazanium
CID 67706558

Frequently Asked Questions

What is the IUPAC name of 3,6,8-tribromoquinoline?
The IUPAC name of 3,6,8-tribromoquinoline (CID 91172401) is 3,6,8-tribromoquinoline.
What is the SMILES notation for 3,6,8-tribromoquinoline?
The canonical SMILES for 3,6,8-tribromoquinoline is Brc1cnc2c(Br)cc(Br)cc2c1.
What is the InChIKey of 3,6,8-tribromoquinoline?
The InChIKey is BWLLHQAEWSCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H.
What are the key properties of 3,6,8-tribromoquinoline?
3,6,8-tribromoquinoline has a molecular weight of 365.85 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-tribromoquinoline is sourced from PubChem (CID 91172401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).