trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate

C8H8F3N3O2 — CID 155644253

IUPACtrifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
SMILESO=C(OC(F)(F)F)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-3-1-2-5-6(14)4-12-13-5/h4H,1-3H2,(H,12,13)
InChIKeySTFRGQHPFHUIAO-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.82
Rot. Bonds

About trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate

trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate (PubChem CID 155644253) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
PubChem CID155644253
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Nametrifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
SMILESO=C(OC(F)(F)F)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-3-1-2-5-6(14)4-12-13-5/h4H,1-3H2,(H,12,13)
InChIKeySTFRGQHPFHUIAO-UHFFFAOYSA-N
XLogP1.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate?
The IUPAC name of trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate (CID 155644253) is trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate.
What is the SMILES notation for trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate?
The canonical SMILES for trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate is O=C(OC(F)(F)F)N1CCCc2[nH]ncc21.
What is the InChIKey of trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate?
The InChIKey is STFRGQHPFHUIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)16-7(15)14-3-1-2-5-6(14)4-12-13-5/h4H,1-3H2,(H,12,13).
What are the key properties of trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate?
trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate is sourced from PubChem (CID 155644253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).