4-bromo-5-methoxy-2-methylpyridazin-3-one

C6H7BrN2O2 — CID 10632641

IUPAC4-bromo-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cnn(C)c(=O)c1Br
InChIInChI=1S/C6H7BrN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
InChIKeyHSDCWFJCXPJONV-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.55
Rot. Bonds1

About 4-bromo-5-methoxy-2-methylpyridazin-3-one

4-bromo-5-methoxy-2-methylpyridazin-3-one (PubChem CID 10632641) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-methylpyridazin-3-one
PubChem CID10632641
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name4-bromo-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cnn(C)c(=O)c1Br
InChIInChI=1S/C6H7BrN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
InChIKeyHSDCWFJCXPJONV-UHFFFAOYSA-N
XLogP0.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-methoxy-2-methylpyridazin-3-one (CID 10632641) is 4-bromo-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-methoxy-2-methylpyridazin-3-one is COc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is HSDCWFJCXPJONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3.
What are the key properties of 4-bromo-5-methoxy-2-methylpyridazin-3-one?
4-bromo-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 219.04 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 10632641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).