dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C12H8ClF3N2O4 — CID 118499508

IUPACdimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2cc(C(F)(F)F)cc(Cl)c2c1C(=O)OC
InChIInChI=1S/C12H8ClF3N2O4/c1-21-10(19)7-8(11(20)22-2)17-18-4-5(12(14,15)16)3-6(13)9(7)18/h3-4H,1-2H3
InChIKeyXSDNDCXMWZDXBD-UHFFFAOYSA-N
MW336.65 g/mol
LogP2.58
Rot. Bonds2

About dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 118499508) has the molecular formula C12H8ClF3N2O4 and a molecular weight of 336.65 g/mol. Its IUPAC name is dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID118499508
Molecular FormulaC12H8ClF3N2O4
Molecular Weight336.65 g/mol
Exact Mass336.01
IUPAC Namedimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2cc(C(F)(F)F)cc(Cl)c2c1C(=O)OC
InChIInChI=1S/C12H8ClF3N2O4/c1-21-10(19)7-8(11(20)22-2)17-18-4-5(12(14,15)16)3-6(13)9(7)18/h3-4H,1-2H3
InChIKeyXSDNDCXMWZDXBD-UHFFFAOYSA-N
XLogP2.58
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate 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 dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 118499508) is dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2cc(C(F)(F)F)cc(Cl)c2c1C(=O)OC.
What is the InChIKey of dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is XSDNDCXMWZDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O4/c1-21-10(19)7-8(11(20)22-2)17-18-4-5(12(14,15)16)3-6(13)9(7)18/h3-4H,1-2H3.
What are the key properties of dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 336.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 118499508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).