3-bromo-4-methoxypyridazine

C5H5BrN2O — CID 154674574

IUPAC3-bromo-4-methoxypyridazine
SMILESCOc1ccnnc1Br
InChIInChI=1S/C5H5BrN2O/c1-9-4-2-3-7-8-5(4)6/h2-3H,1H3
InChIKeyKYNGTUWZGUXSDS-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.25
Rot. Bonds1

About 3-bromo-4-methoxypyridazine

3-bromo-4-methoxypyridazine (PubChem CID 154674574) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 3-bromo-4-methoxypyridazine.

Molecular Properties

Compound Name3-bromo-4-methoxypyridazine
PubChem CID154674574
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name3-bromo-4-methoxypyridazine
SMILESCOc1ccnnc1Br
InChIInChI=1S/C5H5BrN2O/c1-9-4-2-3-7-8-5(4)6/h2-3H,1H3
InChIKeyKYNGTUWZGUXSDS-UHFFFAOYSA-N
XLogP1.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxypyridazine?
The IUPAC name of 3-bromo-4-methoxypyridazine (CID 154674574) is 3-bromo-4-methoxypyridazine.
What is the SMILES notation for 3-bromo-4-methoxypyridazine?
The canonical SMILES for 3-bromo-4-methoxypyridazine is COc1ccnnc1Br.
What is the InChIKey of 3-bromo-4-methoxypyridazine?
The InChIKey is KYNGTUWZGUXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c1-9-4-2-3-7-8-5(4)6/h2-3H,1H3.
What are the key properties of 3-bromo-4-methoxypyridazine?
3-bromo-4-methoxypyridazine has a molecular weight of 189.01 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxypyridazine is sourced from PubChem (CID 154674574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).