6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one

C18H10ClF3N2O2 — CID 1477247

IUPAC6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1cccc(Cl)c1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H10ClF3N2O2/c19-12-6-4-5-11(9-12)17(26)16-14(18(20,21)22)10-15(25)24(23-16)13-7-2-1-3-8-13/h1-10H
InChIKeyVBNHJPKXHBPHKG-UHFFFAOYSA-N
MW378.74 g/mol
LogP4.14
Rot. Bonds3

About 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one

6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 1477247) has the molecular formula C18H10ClF3N2O2 and a molecular weight of 378.74 g/mol. Its IUPAC name is 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID1477247
Molecular FormulaC18H10ClF3N2O2
Molecular Weight378.74 g/mol
Exact Mass378.04
IUPAC Name6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1cccc(Cl)c1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H10ClF3N2O2/c19-12-6-4-5-11(9-12)17(26)16-14(18(20,21)22)10-15(25)24(23-16)13-7-2-1-3-8-13/h1-10H
InChIKeyVBNHJPKXHBPHKG-UHFFFAOYSA-N
XLogP4.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one (CID 1477247) is 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one is O=C(c1cccc(Cl)c1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is VBNHJPKXHBPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O2/c19-12-6-4-5-11(9-12)17(26)16-14(18(20,21)22)10-15(25)24(23-16)13-7-2-1-3-8-13/h1-10H.
What are the key properties of 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 378.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorobenzoyl)-2-phenyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 1477247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).