3,6-dibromoquinoline

C9H5Br2N — CID 840332

IUPAC3,6-dibromoquinoline
SMILESBrc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C9H5Br2N/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H
InChIKeyCYLMMNPZLQGNEW-UHFFFAOYSA-N
MW286.95 g/mol
LogP3.76
Rot. Bonds

About 3,6-dibromoquinoline

3,6-dibromoquinoline (PubChem CID 840332) has the molecular formula C9H5Br2N and a molecular weight of 286.95 g/mol. Its IUPAC name is 3,6-dibromoquinoline.

Molecular Properties

Compound Name3,6-dibromoquinoline
PubChem CID840332
Molecular FormulaC9H5Br2N
Molecular Weight286.95 g/mol
Exact Mass284.88
IUPAC Name3,6-dibromoquinoline
SMILESBrc1ccc2ncc(Br)cc2c1
InChIInChI=1S/C9H5Br2N/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H
InChIKeyCYLMMNPZLQGNEW-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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromoquinoline?
The IUPAC name of 3,6-dibromoquinoline (CID 840332) is 3,6-dibromoquinoline.
What is the SMILES notation for 3,6-dibromoquinoline?
The canonical SMILES for 3,6-dibromoquinoline is Brc1ccc2ncc(Br)cc2c1.
What is the InChIKey of 3,6-dibromoquinoline?
The InChIKey is CYLMMNPZLQGNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H.
What are the key properties of 3,6-dibromoquinoline?
3,6-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 3,6-dibromoquinoline is sourced from PubChem (CID 840332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).