3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

C11H9ClF3N3O — CID 71146060

IUPAC3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESCc1cc(OCC(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-7-5-9(19-6-11(13,14)15)17-18(7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3
InChIKeyMXRJJSQRCHDHDT-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (PubChem CID 71146060) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
PubChem CID71146060
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESCc1cc(OCC(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-7-5-9(19-6-11(13,14)15)17-18(7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3
InChIKeyMXRJJSQRCHDHDT-UHFFFAOYSA-N
XLogP3.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine 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 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (CID 71146060) is 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is Cc1cc(OCC(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The InChIKey is MXRJJSQRCHDHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-7-5-9(19-6-11(13,14)15)17-18(7)10-8(12)3-2-4-16-10/h2-5H,6H2,1H3.
What are the key properties of 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine has a molecular weight of 291.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 71146060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).