5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one

C6H7BrN2O2 — CID 117104948

IUPAC5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
SMILESCOCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C6H7BrN2O2/c1-11-3-4-2-5(7)6(10)9-8-4/h2H,3H2,1H3,(H,9,10)
InChIKeyHQGSHSOPHNHHRX-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.68
Rot. Bonds2

About 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one

5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one (PubChem CID 117104948) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
PubChem CID117104948
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
SMILESCOCc1cc(Br)c(=O)[nH]n1
InChIInChI=1S/C6H7BrN2O2/c1-11-3-4-2-5(7)6(10)9-8-4/h2H,3H2,1H3,(H,9,10)
InChIKeyHQGSHSOPHNHHRX-UHFFFAOYSA-N
XLogP0.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one
CID 117104984
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
3,5-bis(methoxymethyl)-1H-pyrazole
CID 68529485
5-bromo-3-[(1,1-dioxothian-4-yl)methyl]-1H-pyridazin-6-one
CID 117105429
5-bromo-3-(pyrrolidin-3-ylmethyl)-1H-pyridazin-6-one
CID 117105335
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
CID 117104956
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
5-bromo-3-(thian-3-ylmethyl)-1H-pyridazin-6-one
CID 117106270
5-bromo-3-(5-methylthiophen-2-yl)-1H-pyridazin-6-one
CID 117106433
5-bromo-6-oxo-1H-pyridazine-3-carbohydrazide
CID 178014551
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 156589610

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one (CID 117104948) is 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one is COCc1cc(Br)c(=O)[nH]n1.
What is the InChIKey of 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one?
The InChIKey is HQGSHSOPHNHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-11-3-4-2-5(7)6(10)9-8-4/h2H,3H2,1H3,(H,9,10).
What are the key properties of 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one?
5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one has a molecular weight of 219.04 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117104948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).