2-(chloromethyl)-1H-pyridazine-3,6-dione

C5H5ClN2O2 — CID 55303732

IUPAC2-(chloromethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCl)[nH]1
InChIInChI=1S/C5H5ClN2O2/c6-3-8-5(10)2-1-4(9)7-8/h1-2H,3H2,(H,7,9)
InChIKeySUQIYHUBSDHQAV-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.27
Rot. Bonds1

About 2-(chloromethyl)-1H-pyridazine-3,6-dione

2-(chloromethyl)-1H-pyridazine-3,6-dione (PubChem CID 55303732) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 2-(chloromethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(chloromethyl)-1H-pyridazine-3,6-dione
PubChem CID55303732
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name2-(chloromethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCl)[nH]1
InChIInChI=1S/C5H5ClN2O2/c6-3-8-5(10)2-1-4(9)7-8/h1-2H,3H2,(H,7,9)
InChIKeySUQIYHUBSDHQAV-UHFFFAOYSA-N
XLogP-0.27
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-1-methylpyridazin-6(1H)-one
CID 95157
1-(Hydroxymethyl)-1,2-dihydro-3,6-pyridazinedione
CID 232161
4-Chloro-1-methyl-1,2-dihydropyridazine-3,6-dione
CID 12409912
chloromethane;N',N'-dimethylprop-2-enehydrazide
CID 87229417
4-(2,2-Dimethylhydrazinyl)-4-oxobut-2-enamide
CID 154119475
5-Chloro-1-methyl-1,2-dihydropyridazine-3,6-dione
CID 12409913
1-(3-Chloropropyl)-1,2-dihydropyridazine-3,6-dione
CID 16792448
2-(2-chloroethyl)-1H-pyridazine-3,6-dione
CID 43135551
2-[(E)-4-chlorobut-2-enyl]-1H-pyridazine-3,6-dione
CID 64681013
2-(4-chlorobut-2-enyl)-1H-pyridazine-3,6-dione
CID 78996935
1,2-Dihydro-1-(methoxymethyl)-3,6-pyridazinedione
CID 165347618

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(chloromethyl)-1H-pyridazine-3,6-dione (CID 55303732) is 2-(chloromethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(chloromethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(chloromethyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCl)[nH]1.
What is the InChIKey of 2-(chloromethyl)-1H-pyridazine-3,6-dione?
The InChIKey is SUQIYHUBSDHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-3-8-5(10)2-1-4(9)7-8/h1-2H,3H2,(H,7,9).
What are the key properties of 2-(chloromethyl)-1H-pyridazine-3,6-dione?
2-(chloromethyl)-1H-pyridazine-3,6-dione has a molecular weight of 160.56 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 55303732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).