3-(bromomethyl)-6-chloro-4-methoxypyridazine

C6H6BrClN2O — CID 156813344

IUPAC3-(bromomethyl)-6-chloro-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1CBr
InChIInChI=1S/C6H6BrClN2O/c1-11-5-2-6(8)10-9-4(5)3-7/h2H,3H2,1H3
InChIKeyQWMDCVVATOMDME-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.03
Rot. Bonds2

About 3-(bromomethyl)-6-chloro-4-methoxypyridazine

3-(bromomethyl)-6-chloro-4-methoxypyridazine (PubChem CID 156813344) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 3-(bromomethyl)-6-chloro-4-methoxypyridazine.

Molecular Properties

Compound Name3-(bromomethyl)-6-chloro-4-methoxypyridazine
PubChem CID156813344
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name3-(bromomethyl)-6-chloro-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1CBr
InChIInChI=1S/C6H6BrClN2O/c1-11-5-2-6(8)10-9-4(5)3-7/h2H,3H2,1H3
InChIKeyQWMDCVVATOMDME-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(bromomethyl)-6-chloro-4-methoxypyridazine?
The IUPAC name of 3-(bromomethyl)-6-chloro-4-methoxypyridazine (CID 156813344) is 3-(bromomethyl)-6-chloro-4-methoxypyridazine.
What is the SMILES notation for 3-(bromomethyl)-6-chloro-4-methoxypyridazine?
The canonical SMILES for 3-(bromomethyl)-6-chloro-4-methoxypyridazine is COc1cc(Cl)nnc1CBr.
What is the InChIKey of 3-(bromomethyl)-6-chloro-4-methoxypyridazine?
The InChIKey is QWMDCVVATOMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-11-5-2-6(8)10-9-4(5)3-7/h2H,3H2,1H3.
What are the key properties of 3-(bromomethyl)-6-chloro-4-methoxypyridazine?
3-(bromomethyl)-6-chloro-4-methoxypyridazine has a molecular weight of 237.48 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-chloro-4-methoxypyridazine is sourced from PubChem (CID 156813344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).