2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one

C13H9Cl2F3N2O — CID 12056561

IUPAC2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1c(C(F)(F)F)cnn(Cc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O/c1-7-9(13(16,17)18)5-19-20(12(7)21)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3
InChIKeyHLXHNPZXHXAYAR-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.93
Rot. Bonds2

About 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one

2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 12056561) has the molecular formula C13H9Cl2F3N2O and a molecular weight of 337.13 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID12056561
Molecular FormulaC13H9Cl2F3N2O
Molecular Weight337.13 g/mol
Exact Mass336.00
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1c(C(F)(F)F)cnn(Cc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O/c1-7-9(13(16,17)18)5-19-20(12(7)21)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3
InChIKeyHLXHNPZXHXAYAR-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one (CID 12056561) is 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one is Cc1c(C(F)(F)F)cnn(Cc2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is HLXHNPZXHXAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O/c1-7-9(13(16,17)18)5-19-20(12(7)21)6-8-3-2-4-10(14)11(8)15/h2-5H,6H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one?
2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 337.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 12056561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).