6-bromopyridazine-3-carbaldehyde

C5H3BrN2O — CID 138989855

IUPAC6-bromopyridazine-3-carbaldehyde
SMILESO=Cc1ccc(Br)nn1
InChIInChI=1S/C5H3BrN2O/c6-5-2-1-4(3-9)7-8-5/h1-3H
InChIKeyJLEFLIXJVRQFHX-UHFFFAOYSA-N
MW187.00 g/mol
LogP1.05
Rot. Bonds1

About 6-bromopyridazine-3-carbaldehyde

6-bromopyridazine-3-carbaldehyde (PubChem CID 138989855) has the molecular formula C5H3BrN2O and a molecular weight of 187.00 g/mol. Its IUPAC name is 6-bromopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromopyridazine-3-carbaldehyde
PubChem CID138989855
Molecular FormulaC5H3BrN2O
Molecular Weight187.00 g/mol
Exact Mass185.94
IUPAC Name6-bromopyridazine-3-carbaldehyde
SMILESO=Cc1ccc(Br)nn1
InChIInChI=1S/C5H3BrN2O/c6-5-2-1-4(3-9)7-8-5/h1-3H
InChIKeyJLEFLIXJVRQFHX-UHFFFAOYSA-N
XLogP1.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyridazine-3-carbaldehyde?
The IUPAC name of 6-bromopyridazine-3-carbaldehyde (CID 138989855) is 6-bromopyridazine-3-carbaldehyde.
What is the SMILES notation for 6-bromopyridazine-3-carbaldehyde?
The canonical SMILES for 6-bromopyridazine-3-carbaldehyde is O=Cc1ccc(Br)nn1.
What is the InChIKey of 6-bromopyridazine-3-carbaldehyde?
The InChIKey is JLEFLIXJVRQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O/c6-5-2-1-4(3-9)7-8-5/h1-3H.
What are the key properties of 6-bromopyridazine-3-carbaldehyde?
6-bromopyridazine-3-carbaldehyde has a molecular weight of 187.00 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridazine-3-carbaldehyde is sourced from PubChem (CID 138989855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).