cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide

C9H9CsF3N — CID 155736411

IUPACcesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide
SMILESCC(C)c1c[c-]nc(C(F)(F)F)c1.[Cs+]
InChIInChI=1S/C9H9F3N.Cs/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;/h3,5-6H,1-2H3;/q-1;+1
InChIKeyPLQBECLSKOAQAU-UHFFFAOYSA-N
MW321.08 g/mol
LogP0.03
Rot. Bonds1

About cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide

cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide (PubChem CID 155736411) has the molecular formula C9H9CsF3N and a molecular weight of 321.08 g/mol. Its IUPAC name is cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide.

Molecular Properties

Compound Namecesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide
PubChem CID155736411
Molecular FormulaC9H9CsF3N
Molecular Weight321.08 g/mol
Exact Mass320.97
IUPAC Namecesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide
SMILESCC(C)c1c[c-]nc(C(F)(F)F)c1.[Cs+]
InChIInChI=1S/C9H9F3N.Cs/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;/h3,5-6H,1-2H3;/q-1;+1
InChIKeyPLQBECLSKOAQAU-UHFFFAOYSA-N
XLogP0.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.08
LogP ≤ 50.03
H-Bond Donors ≤ 50
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 cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide?
The IUPAC name of cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide (CID 155736411) is cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide.
What is the SMILES notation for cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide?
The canonical SMILES for cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide is CC(C)c1c[c-]nc(C(F)(F)F)c1.[Cs+].
What is the InChIKey of cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide?
The InChIKey is PLQBECLSKOAQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N.Cs/c1-6(2)7-3-4-13-8(5-7)9(10,11)12;/h3,5-6H,1-2H3;/q-1;+1.
What are the key properties of cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide?
cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide has a molecular weight of 321.08 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 4-propan-2-yl-6-(trifluoromethyl)-2H-pyridin-2-ide is sourced from PubChem (CID 155736411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).