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

C11H9ClN2O — CID 102592574

IUPAC6-(3-chlorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C11H9ClN2O/c1-14-11(15)6-5-10(13-14)8-3-2-4-9(12)7-8/h2-7H,1H3
InChIKeyXJNVSVVYFYVKBO-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.10
Rot. Bonds1

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

6-(3-chlorophenyl)-2-methylpyridazin-3-one (PubChem CID 102592574) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-methylpyridazin-3-one
PubChem CID102592574
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name6-(3-chlorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C11H9ClN2O/c1-14-11(15)6-5-10(13-14)8-3-2-4-9(12)7-8/h2-7H,1H3
InChIKeyXJNVSVVYFYVKBO-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363271
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363280
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363277
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
CID 158622359

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-methylpyridazin-3-one (CID 102592574) is 6-(3-chlorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-methylpyridazin-3-one is Cn1nc(-c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 6-(3-chlorophenyl)-2-methylpyridazin-3-one?
The InChIKey is XJNVSVVYFYVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-11(15)6-5-10(13-14)8-3-2-4-9(12)7-8/h2-7H,1H3.
What are the key properties of 6-(3-chlorophenyl)-2-methylpyridazin-3-one?
6-(3-chlorophenyl)-2-methylpyridazin-3-one has a molecular weight of 220.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 102592574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).