3-bromopyridazine;hydrobromide

C4H4Br2N2 — CID 53407768

IUPAC3-bromopyridazine;hydrobromide
SMILESBr.Brc1cccnn1
InChIInChI=1S/C4H3BrN2.BrH/c5-4-2-1-3-6-7-4;/h1-3H;1H
InChIKeyBYTQKOCSGGRTSI-UHFFFAOYSA-N
MW239.90 g/mol
LogP1.82
Rot. Bonds

About 3-bromopyridazine;hydrobromide

3-bromopyridazine;hydrobromide (PubChem CID 53407768) has the molecular formula C4H4Br2N2 and a molecular weight of 239.90 g/mol. Its IUPAC name is 3-bromopyridazine;hydrobromide.

Molecular Properties

Compound Name3-bromopyridazine;hydrobromide
PubChem CID53407768
Molecular FormulaC4H4Br2N2
Molecular Weight239.90 g/mol
Exact Mass237.87
IUPAC Name3-bromopyridazine;hydrobromide
SMILESBr.Brc1cccnn1
InChIInChI=1S/C4H3BrN2.BrH/c5-4-2-1-3-6-7-4;/h1-3H;1H
InChIKeyBYTQKOCSGGRTSI-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.90
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridazine;hydrobromide?
The IUPAC name of 3-bromopyridazine;hydrobromide (CID 53407768) is 3-bromopyridazine;hydrobromide.
What is the SMILES notation for 3-bromopyridazine;hydrobromide?
The canonical SMILES for 3-bromopyridazine;hydrobromide is Br.Brc1cccnn1.
What is the InChIKey of 3-bromopyridazine;hydrobromide?
The InChIKey is BYTQKOCSGGRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2.BrH/c5-4-2-1-3-6-7-4;/h1-3H;1H.
What are the key properties of 3-bromopyridazine;hydrobromide?
3-bromopyridazine;hydrobromide has a molecular weight of 239.90 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridazine;hydrobromide is sourced from PubChem (CID 53407768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).