4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one

C11H5Cl2F3N2O — CID 21485857

IUPAC4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-5-17-18(10(19)9(7)13)8-4-2-1-3-6(8)11(14,15)16/h1-5H
InChIKeyWVDKLQRXAMTHTJ-UHFFFAOYSA-N
MW309.07 g/mol
LogP3.56
Rot. Bonds1

About 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one

4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one (PubChem CID 21485857) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one
PubChem CID21485857
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H5Cl2F3N2O/c12-7-5-17-18(10(19)9(7)13)8-4-2-1-3-6(8)11(14,15)16/h1-5H
InChIKeyWVDKLQRXAMTHTJ-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one (CID 21485857) is 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one?
The InChIKey is WVDKLQRXAMTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-7-5-17-18(10(19)9(7)13)8-4-2-1-3-6(8)11(14,15)16/h1-5H.
What are the key properties of 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one?
4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one has a molecular weight of 309.07 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 21485857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).