6-(bromomethyl)-2-methylpyridazin-3-one

C6H7BrN2O — CID 82442091

IUPAC6-(bromomethyl)-2-methylpyridazin-3-one
SMILESCn1nc(CBr)ccc1=O
InChIInChI=1S/C6H7BrN2O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4H2,1H3
InChIKeySKGDYHSFHABVFW-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.68
Rot. Bonds1

About 6-(bromomethyl)-2-methylpyridazin-3-one

6-(bromomethyl)-2-methylpyridazin-3-one (PubChem CID 82442091) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(bromomethyl)-2-methylpyridazin-3-one
PubChem CID82442091
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name6-(bromomethyl)-2-methylpyridazin-3-one
SMILESCn1nc(CBr)ccc1=O
InChIInChI=1S/C6H7BrN2O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4H2,1H3
InChIKeySKGDYHSFHABVFW-UHFFFAOYSA-N
XLogP0.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(bromomethyl)-2-methylpyridazin-3-one (CID 82442091) is 6-(bromomethyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(bromomethyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(bromomethyl)-2-methylpyridazin-3-one is Cn1nc(CBr)ccc1=O.
What is the InChIKey of 6-(bromomethyl)-2-methylpyridazin-3-one?
The InChIKey is SKGDYHSFHABVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-9-6(10)3-2-5(4-7)8-9/h2-3H,4H2,1H3.
What are the key properties of 6-(bromomethyl)-2-methylpyridazin-3-one?
6-(bromomethyl)-2-methylpyridazin-3-one has a molecular weight of 203.04 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82442091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).