1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole

C10H4Cl2F3IN2 — CID 10927649

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole
SMILESFC(F)(F)c1cc(Cl)c(-n2cc(I)cn2)c(Cl)c1
InChIInChI=1S/C10H4Cl2F3IN2/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-4-6(16)3-17-18/h1-4H
InChIKeyQZYQAIOYFUXUSX-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.80
Rot. Bonds1

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole (PubChem CID 10927649) has the molecular formula C10H4Cl2F3IN2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole
PubChem CID10927649
Molecular FormulaC10H4Cl2F3IN2
Molecular Weight406.96 g/mol
Exact Mass405.87
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole
SMILESFC(F)(F)c1cc(Cl)c(-n2cc(I)cn2)c(Cl)c1
InChIInChI=1S/C10H4Cl2F3IN2/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-4-6(16)3-17-18/h1-4H
InChIKeyQZYQAIOYFUXUSX-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole 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 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole (CID 10927649) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole is FC(F)(F)c1cc(Cl)c(-n2cc(I)cn2)c(Cl)c1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole?
The InChIKey is QZYQAIOYFUXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3IN2/c11-7-1-5(10(13,14)15)2-8(12)9(7)18-4-6(16)3-17-18/h1-4H.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole has a molecular weight of 406.96 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-iodopyrazole is sourced from PubChem (CID 10927649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).