3-bromocinnoline

C8H5BrN2 — CID 12678051

IUPAC3-bromocinnoline
SMILESBrc1cc2ccccc2nn1
InChIInChI=1S/C8H5BrN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyMEYRUXMLXSGXKP-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.39
Rot. Bonds

About 3-bromocinnoline

3-bromocinnoline (PubChem CID 12678051) has the molecular formula C8H5BrN2 and a molecular weight of 209.05 g/mol. Its IUPAC name is 3-bromocinnoline.

Molecular Properties

Compound Name3-bromocinnoline
PubChem CID12678051
Molecular FormulaC8H5BrN2
Molecular Weight209.05 g/mol
Exact Mass207.96
IUPAC Name3-bromocinnoline
SMILESBrc1cc2ccccc2nn1
InChIInChI=1S/C8H5BrN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyMEYRUXMLXSGXKP-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromocinnoline?
The IUPAC name of 3-bromocinnoline (CID 12678051) is 3-bromocinnoline.
What is the SMILES notation for 3-bromocinnoline?
The canonical SMILES for 3-bromocinnoline is Brc1cc2ccccc2nn1.
What is the InChIKey of 3-bromocinnoline?
The InChIKey is MEYRUXMLXSGXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H.
What are the key properties of 3-bromocinnoline?
3-bromocinnoline has a molecular weight of 209.05 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromocinnoline is sourced from PubChem (CID 12678051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).