4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C18H13ClF3N3O2 — CID 24507846

IUPAC4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCc1ccc(C)c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1
InChIInChI=1S/C18H13ClF3N3O2/c1-10-3-4-11(2)13(7-10)27-14-9-24-25(17(26)16(14)19)15-6-5-12(8-23-15)18(20,21)22/h3-9H,1-2H3
InChIKeySMGNMLSKVBLHJP-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.71
Rot. Bonds3

About 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 24507846) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID24507846
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESCc1ccc(C)c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1
InChIInChI=1S/C18H13ClF3N3O2/c1-10-3-4-11(2)13(7-10)27-14-9-24-25(17(26)16(14)19)15-6-5-12(8-23-15)18(20,21)22/h3-9H,1-2H3
InChIKeySMGNMLSKVBLHJP-UHFFFAOYSA-N
XLogP4.71
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 24507846) is 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is Cc1ccc(C)c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1.
What is the InChIKey of 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is SMGNMLSKVBLHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-10-3-4-11(2)13(7-10)27-14-9-24-25(17(26)16(14)19)15-6-5-12(8-23-15)18(20,21)22/h3-9H,1-2H3.
What are the key properties of 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 395.77 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,5-dimethylphenoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 24507846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).