3,8-dibromocinnoline

C8H4Br2N2 — CID 22314224

IUPAC3,8-dibromocinnoline
SMILESBrc1cc2cccc(Br)c2nn1
InChIInChI=1S/C8H4Br2N2/c9-6-3-1-2-5-4-7(10)11-12-8(5)6/h1-4H
InChIKeyNYJTYKDQISCDTF-UHFFFAOYSA-N
MW287.94 g/mol
LogP3.15
Rot. Bonds

About 3,8-dibromocinnoline

3,8-dibromocinnoline (PubChem CID 22314224) has the molecular formula C8H4Br2N2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 3,8-dibromocinnoline.

Molecular Properties

Compound Name3,8-dibromocinnoline
PubChem CID22314224
Molecular FormulaC8H4Br2N2
Molecular Weight287.94 g/mol
Exact Mass285.87
IUPAC Name3,8-dibromocinnoline
SMILESBrc1cc2cccc(Br)c2nn1
InChIInChI=1S/C8H4Br2N2/c9-6-3-1-2-5-4-7(10)11-12-8(5)6/h1-4H
InChIKeyNYJTYKDQISCDTF-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 3,8-dibromocinnoline?
The IUPAC name of 3,8-dibromocinnoline (CID 22314224) is 3,8-dibromocinnoline.
What is the SMILES notation for 3,8-dibromocinnoline?
The canonical SMILES for 3,8-dibromocinnoline is Brc1cc2cccc(Br)c2nn1.
What is the InChIKey of 3,8-dibromocinnoline?
The InChIKey is NYJTYKDQISCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2/c9-6-3-1-2-5-4-7(10)11-12-8(5)6/h1-4H.
What are the key properties of 3,8-dibromocinnoline?
3,8-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 3,8-dibromocinnoline is sourced from PubChem (CID 22314224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).