2,4-dibromoquinoline

C9H5Br2N — CID 824608

IUPAC2,4-dibromoquinoline
SMILESBrc1cc(Br)c2ccccc2n1
InChIInChI=1S/C9H5Br2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKeyCYRONKIISXPXER-UHFFFAOYSA-N
MW286.95 g/mol
LogP3.76
Rot. Bonds

About 2,4-dibromoquinoline

2,4-dibromoquinoline (PubChem CID 824608) has the molecular formula C9H5Br2N and a molecular weight of 286.95 g/mol. Its IUPAC name is 2,4-dibromoquinoline.

Molecular Properties

Compound Name2,4-dibromoquinoline
PubChem CID824608
Molecular FormulaC9H5Br2N
Molecular Weight286.95 g/mol
Exact Mass284.88
IUPAC Name2,4-dibromoquinoline
SMILESBrc1cc(Br)c2ccccc2n1
InChIInChI=1S/C9H5Br2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKeyCYRONKIISXPXER-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.95
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibromoquinoline 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

2,4,7-tribromoquinoline
CID 90123951
2-bromo-4-nitrosoquinoline
CID 88919783
2-bromo-4-propan-2-ylquinoline
CID 146082408
4-bromo-2-nitroquinoline
CID 150997000
2-bromo-4-ethoxyquinoline
CID 824618
3-(2-bromoquinolin-4-yl)prop-2-yn-1-ol
CID 141349595
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
1-(2-bromoquinolin-4-yl)oxycyclobutane-1-carboxylic acid
CID 142191920
2-bromo-4-(4-fluorophenyl)sulfonylquinoline
CID 174969709
3-bromo-1-phenylisoquinoline
CID 126560362
2,4-dibromo-9-methylacridine
CID 46187619
9-(tribromomethyl)acridine
CID 18471467

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromoquinoline?
The IUPAC name of 2,4-dibromoquinoline (CID 824608) is 2,4-dibromoquinoline.
What is the SMILES notation for 2,4-dibromoquinoline?
The canonical SMILES for 2,4-dibromoquinoline is Brc1cc(Br)c2ccccc2n1.
What is the InChIKey of 2,4-dibromoquinoline?
The InChIKey is CYRONKIISXPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 2,4-dibromoquinoline?
2,4-dibromoquinoline has a molecular weight of 286.95 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromoquinoline is sourced from PubChem (CID 824608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).