4-(bromomethyl)pyridazine;hydrobromide

C5H6Br2N2 — CID 135331119

IUPAC4-(bromomethyl)pyridazine;hydrobromide
SMILESBr.BrCc1ccnnc1
InChIInChI=1S/C5H5BrN2.BrH/c6-3-5-1-2-7-8-4-5;/h1-2,4H,3H2;1H
InChIKeyUGXLNUIWSFULRV-UHFFFAOYSA-N
MW253.93 g/mol
LogP1.95
Rot. Bonds1

About 4-(bromomethyl)pyridazine;hydrobromide

4-(bromomethyl)pyridazine;hydrobromide (PubChem CID 135331119) has the molecular formula C5H6Br2N2 and a molecular weight of 253.93 g/mol. Its IUPAC name is 4-(bromomethyl)pyridazine;hydrobromide.

Molecular Properties

Compound Name4-(bromomethyl)pyridazine;hydrobromide
PubChem CID135331119
Molecular FormulaC5H6Br2N2
Molecular Weight253.93 g/mol
Exact Mass251.89
IUPAC Name4-(bromomethyl)pyridazine;hydrobromide
SMILESBr.BrCc1ccnnc1
InChIInChI=1S/C5H5BrN2.BrH/c6-3-5-1-2-7-8-4-5;/h1-2,4H,3H2;1H
InChIKeyUGXLNUIWSFULRV-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.93
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)pyridazine;hydrobromide?
The IUPAC name of 4-(bromomethyl)pyridazine;hydrobromide (CID 135331119) is 4-(bromomethyl)pyridazine;hydrobromide.
What is the SMILES notation for 4-(bromomethyl)pyridazine;hydrobromide?
The canonical SMILES for 4-(bromomethyl)pyridazine;hydrobromide is Br.BrCc1ccnnc1.
What is the InChIKey of 4-(bromomethyl)pyridazine;hydrobromide?
The InChIKey is UGXLNUIWSFULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2.BrH/c6-3-5-1-2-7-8-4-5;/h1-2,4H,3H2;1H.
What are the key properties of 4-(bromomethyl)pyridazine;hydrobromide?
4-(bromomethyl)pyridazine;hydrobromide has a molecular weight of 253.93 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)pyridazine;hydrobromide is sourced from PubChem (CID 135331119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).