3-bromo-5-ethoxypyridazine

C6H7BrN2O — CID 118504110

IUPAC3-bromo-5-ethoxypyridazine
SMILESCCOc1cnnc(Br)c1
InChIInChI=1S/C6H7BrN2O/c1-2-10-5-3-6(7)9-8-4-5/h3-4H,2H2,1H3
InChIKeyQGBDPEZEWTZDHF-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.64
Rot. Bonds2

About 3-bromo-5-ethoxypyridazine

3-bromo-5-ethoxypyridazine (PubChem CID 118504110) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-bromo-5-ethoxypyridazine.

Molecular Properties

Compound Name3-bromo-5-ethoxypyridazine
PubChem CID118504110
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-bromo-5-ethoxypyridazine
SMILESCCOc1cnnc(Br)c1
InChIInChI=1S/C6H7BrN2O/c1-2-10-5-3-6(7)9-8-4-5/h3-4H,2H2,1H3
InChIKeyQGBDPEZEWTZDHF-UHFFFAOYSA-N
XLogP1.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxypyridazine?
The IUPAC name of 3-bromo-5-ethoxypyridazine (CID 118504110) is 3-bromo-5-ethoxypyridazine.
What is the SMILES notation for 3-bromo-5-ethoxypyridazine?
The canonical SMILES for 3-bromo-5-ethoxypyridazine is CCOc1cnnc(Br)c1.
What is the InChIKey of 3-bromo-5-ethoxypyridazine?
The InChIKey is QGBDPEZEWTZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-10-5-3-6(7)9-8-4-5/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-5-ethoxypyridazine?
3-bromo-5-ethoxypyridazine has a molecular weight of 203.04 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxypyridazine is sourced from PubChem (CID 118504110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).