3-(bromomethyl)-6-chloro-1,2-dihydropyridazine

C5H6BrClN2 — CID 122591759

IUPAC3-(bromomethyl)-6-chloro-1,2-dihydropyridazine
SMILESClC1=CC=C(CBr)NN1
InChIInChI=1S/C5H6BrClN2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2
InChIKeyLFKWVBCDYRREEU-UHFFFAOYSA-N
MW209.47 g/mol
LogP1.45
Rot. Bonds1

About 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine

3-(bromomethyl)-6-chloro-1,2-dihydropyridazine (PubChem CID 122591759) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-(bromomethyl)-6-chloro-1,2-dihydropyridazine
PubChem CID122591759
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name3-(bromomethyl)-6-chloro-1,2-dihydropyridazine
SMILESClC1=CC=C(CBr)NN1
InChIInChI=1S/C5H6BrClN2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2
InChIKeyLFKWVBCDYRREEU-UHFFFAOYSA-N
XLogP1.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine?
The IUPAC name of 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine (CID 122591759) is 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine.
What is the SMILES notation for 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine?
The canonical SMILES for 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine is ClC1=CC=C(CBr)NN1.
What is the InChIKey of 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine?
The InChIKey is LFKWVBCDYRREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2.
What are the key properties of 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine?
3-(bromomethyl)-6-chloro-1,2-dihydropyridazine has a molecular weight of 209.47 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-chloro-1,2-dihydropyridazine is sourced from PubChem (CID 122591759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).