dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C12H8ClF3N2O4 — CID 67112511

IUPACdimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(C(F)(F)F)cc(Cl)cc2c1C(=O)OC
InChIInChI=1S/C12H8ClF3N2O4/c1-21-10(19)8-6-3-5(13)4-7(12(14,15)16)18(6)17-9(8)11(20)22-2/h3-4H,1-2H3
InChIKeyBTVSAYISGYIBQX-UHFFFAOYSA-N
MW336.65 g/mol
LogP2.58
Rot. Bonds2

About dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 67112511) has the molecular formula C12H8ClF3N2O4 and a molecular weight of 336.65 g/mol. Its IUPAC name is dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID67112511
Molecular FormulaC12H8ClF3N2O4
Molecular Weight336.65 g/mol
Exact Mass336.01
IUPAC Namedimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(C(F)(F)F)cc(Cl)cc2c1C(=O)OC
InChIInChI=1S/C12H8ClF3N2O4/c1-21-10(19)8-6-3-5(13)4-7(12(14,15)16)18(6)17-9(8)11(20)22-2/h3-4H,1-2H3
InChIKeyBTVSAYISGYIBQX-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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 67112511) is dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2c(C(F)(F)F)cc(Cl)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is BTVSAYISGYIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O4/c1-21-10(19)8-6-3-5(13)4-7(12(14,15)16)18(6)17-9(8)11(20)22-2/h3-4H,1-2H3.
What are the key properties of dimethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 5-chloro-7-(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 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 67112511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).