3-bromo-5-methoxypyridazine

C5H5BrN2O — CID 118497529

IUPAC3-bromo-5-methoxypyridazine
SMILESCOc1cnnc(Br)c1
InChIInChI=1S/C5H5BrN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3
InChIKeyAEXMPZCUVYSEQI-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.25
Rot. Bonds1

About 3-bromo-5-methoxypyridazine

3-bromo-5-methoxypyridazine (PubChem CID 118497529) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 3-bromo-5-methoxypyridazine.

Molecular Properties

Compound Name3-bromo-5-methoxypyridazine
PubChem CID118497529
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name3-bromo-5-methoxypyridazine
SMILESCOc1cnnc(Br)c1
InChIInChI=1S/C5H5BrN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3
InChIKeyAEXMPZCUVYSEQI-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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Related Compounds

3-bromo-5-ethoxypyridazine
CID 118504110
2,6-dibromo-4-methoxypyridine
CID 10901569
5-methoxy-3-propan-2-ylpyridazine
CID 122547241
ethane;5-methoxy-3-propan-2-ylpyridazine
CID 166553087
3-bromo-5-methoxy-N-methylpyridin-2-amine
CID 175331682
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
4-bromo-6-methoxycinnoline
CID 53415017
6-bromo-4-methoxy-N,N-dimethylpyridin-2-amine
CID 133056820
6-bromo-4-methoxy-N-methylpyridin-2-amine
CID 133061275
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
2-bromo-3-ethyl-5-methoxypyridine
CID 133058032
[5-(5-methoxypyridazin-3-yl)-3-pyridinyl]methanamine
CID 141416071

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxypyridazine?
The IUPAC name of 3-bromo-5-methoxypyridazine (CID 118497529) is 3-bromo-5-methoxypyridazine.
What is the SMILES notation for 3-bromo-5-methoxypyridazine?
The canonical SMILES for 3-bromo-5-methoxypyridazine is COc1cnnc(Br)c1.
What is the InChIKey of 3-bromo-5-methoxypyridazine?
The InChIKey is AEXMPZCUVYSEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3.
What are the key properties of 3-bromo-5-methoxypyridazine?
3-bromo-5-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-5-methoxypyridazine is sourced from PubChem (CID 118497529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).