methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate

C10H8F3N3O2 — CID 177077152

IUPACmethyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(CC(F)(F)F)c2cnccc12
InChIInChI=1S/C10H8F3N3O2/c1-18-9(17)8-6-2-3-14-4-7(6)16(15-8)5-10(11,12)13/h2-4H,5H2,1H3
InChIKeyXQFZNCXGKLVFOG-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.78
Rot. Bonds2

About methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate

methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 177077152) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID177077152
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Namemethyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(CC(F)(F)F)c2cnccc12
InChIInChI=1S/C10H8F3N3O2/c1-18-9(17)8-6-2-3-14-4-7(6)16(15-8)5-10(11,12)13/h2-4H,5H2,1H3
InChIKeyXQFZNCXGKLVFOG-UHFFFAOYSA-N
XLogP1.78
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate (CID 177077152) is methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1nn(CC(F)(F)F)c2cnccc12.
What is the InChIKey of methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is XQFZNCXGKLVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-18-9(17)8-6-2-3-14-4-7(6)16(15-8)5-10(11,12)13/h2-4H,5H2,1H3.
What are the key properties of methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 259.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 177077152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).