3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium

C8H4F3N2Y- — CID 134855259

IUPAC3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium
SMILESFC(F)(F)c1c[nH]c2n[c-]ccc12.[Y]
InChIInChI=1S/C8H4F3N2.Y/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;/h1-2,4H,(H,12,13);/q-1;
InChIKeyTZLKFLOUCVUDIJ-UHFFFAOYSA-N
MW274.03 g/mol
LogP2.38
Rot. Bonds

About 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium

3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium (PubChem CID 134855259) has the molecular formula C8H4F3N2Y- and a molecular weight of 274.03 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium
PubChem CID134855259
Molecular FormulaC8H4F3N2Y-
Molecular Weight274.03 g/mol
Exact Mass273.94
IUPAC Name3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium
SMILESFC(F)(F)c1c[nH]c2n[c-]ccc12.[Y]
InChIInChI=1S/C8H4F3N2.Y/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;/h1-2,4H,(H,12,13);/q-1;
InChIKeyTZLKFLOUCVUDIJ-UHFFFAOYSA-N
XLogP2.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.03
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium?
The IUPAC name of 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium (CID 134855259) is 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium.
What is the SMILES notation for 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium?
The canonical SMILES for 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium is FC(F)(F)c1c[nH]c2n[c-]ccc12.[Y].
What is the InChIKey of 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium?
The InChIKey is TZLKFLOUCVUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N2.Y/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7;/h1-2,4H,(H,12,13);/q-1;.
What are the key properties of 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium?
3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium has a molecular weight of 274.03 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-b]pyridin-6-ide;yttrium is sourced from PubChem (CID 134855259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).