1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one

C12H10Cl2N2O2 — CID 82419272

IUPAC1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-12(18)10(6-17)15-16(7)11-3-2-8(13)5-9(11)14/h2-5,17H,6H2,1H3
InChIKeyUBWFRVBOLLIJAU-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.34
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one

1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one (PubChem CID 82419272) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
PubChem CID82419272
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(CO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-4-12(18)10(6-17)15-16(7)11-3-2-8(13)5-9(11)14/h2-5,17H,6H2,1H3
InChIKeyUBWFRVBOLLIJAU-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one (CID 82419272) is 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(CO)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one?
The InChIKey is UBWFRVBOLLIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-4-12(18)10(6-17)15-16(7)11-3-2-8(13)5-9(11)14/h2-5,17H,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one?
1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one has a molecular weight of 285.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82419272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).