5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane

C13H17ClF3N3 — CID 177229959

IUPAC5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
SMILESCC.CC.FC(F)(F)c1ccc(-n2ccc(Cl)n2)cn1
InChIInChI=1S/C9H5ClF3N3.2C2H6/c10-8-3-4-16(15-8)6-1-2-7(14-5-6)9(11,12)13;2*1-2/h1-5H;2*1-2H3
InChIKeyOBXFGJJYKUBXEG-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.99
Rot. Bonds1

About 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane

5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane (PubChem CID 177229959) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane.

Molecular Properties

Compound Name5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
PubChem CID177229959
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
SMILESCC.CC.FC(F)(F)c1ccc(-n2ccc(Cl)n2)cn1
InChIInChI=1S/C9H5ClF3N3.2C2H6/c10-8-3-4-16(15-8)6-1-2-7(14-5-6)9(11,12)13;2*1-2/h1-5H;2*1-2H3
InChIKeyOBXFGJJYKUBXEG-UHFFFAOYSA-N
XLogP4.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane 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 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane?
The IUPAC name of 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane (CID 177229959) is 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane.
What is the SMILES notation for 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane?
The canonical SMILES for 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane is CC.CC.FC(F)(F)c1ccc(-n2ccc(Cl)n2)cn1.
What is the InChIKey of 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane?
The InChIKey is OBXFGJJYKUBXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3.2C2H6/c10-8-3-4-16(15-8)6-1-2-7(14-5-6)9(11,12)13;2*1-2/h1-5H;2*1-2H3.
What are the key properties of 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane?
5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane has a molecular weight of 307.75 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane is sourced from PubChem (CID 177229959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).