3,4-dibromocinnoline

C8H4Br2N2 — CID 12647467

IUPAC3,4-dibromocinnoline
SMILESBrc1nnc2ccccc2c1Br
InChIInChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H
InChIKeyFGSQLRFYBSDNPC-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.15
Rot. Bonds

About 3,4-dibromocinnoline

3,4-dibromocinnoline (PubChem CID 12647467) has the molecular formula C8H4Br2N2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 3,4-dibromocinnoline.

Molecular Properties

Compound Name3,4-dibromocinnoline
PubChem CID12647467
Molecular FormulaC8H4Br2N2
Molecular Weight287.94 g/mol
Exact Mass285.87
IUPAC Name3,4-dibromocinnoline
SMILESBrc1nnc2ccccc2c1Br
InChIInChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H
InChIKeyFGSQLRFYBSDNPC-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromocinnoline?
The IUPAC name of 3,4-dibromocinnoline (CID 12647467) is 3,4-dibromocinnoline.
What is the SMILES notation for 3,4-dibromocinnoline?
The canonical SMILES for 3,4-dibromocinnoline is Brc1nnc2ccccc2c1Br.
What is the InChIKey of 3,4-dibromocinnoline?
The InChIKey is FGSQLRFYBSDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H.
What are the key properties of 3,4-dibromocinnoline?
3,4-dibromocinnoline has a molecular weight of 287.94 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromocinnoline is sourced from PubChem (CID 12647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).