lithium 4-(trifluoromethyl)-2H-pyridin-2-ide

C6H3F3LiN — CID 134857287

IUPAClithium 4-(trifluoromethyl)-2H-pyridin-2-ide
SMILESFC(F)(F)c1c[c-]ncc1.[Li+]
InChIInChI=1S/C6H3F3N.Li/c7-6(8,9)5-1-3-10-4-2-5;/h1-3H;/q-1;+1
InChIKeyAGOCUWAQVDGITA-UHFFFAOYSA-N
MW153.03 g/mol
LogP-1.10
Rot. Bonds

About lithium 4-(trifluoromethyl)-2H-pyridin-2-ide

lithium 4-(trifluoromethyl)-2H-pyridin-2-ide (PubChem CID 134857287) has the molecular formula C6H3F3LiN and a molecular weight of 153.03 g/mol. Its IUPAC name is lithium 4-(trifluoromethyl)-2H-pyridin-2-ide.

Molecular Properties

Compound Namelithium 4-(trifluoromethyl)-2H-pyridin-2-ide
PubChem CID134857287
Molecular FormulaC6H3F3LiN
Molecular Weight153.03 g/mol
Exact Mass153.04
IUPAC Namelithium 4-(trifluoromethyl)-2H-pyridin-2-ide
SMILESFC(F)(F)c1c[c-]ncc1.[Li+]
InChIInChI=1S/C6H3F3N.Li/c7-6(8,9)5-1-3-10-4-2-5;/h1-3H;/q-1;+1
InChIKeyAGOCUWAQVDGITA-UHFFFAOYSA-N
XLogP-1.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.03
LogP ≤ 5-1.10
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 lithium 4-(trifluoromethyl)-2H-pyridin-2-ide?
The IUPAC name of lithium 4-(trifluoromethyl)-2H-pyridin-2-ide (CID 134857287) is lithium 4-(trifluoromethyl)-2H-pyridin-2-ide.
What is the SMILES notation for lithium 4-(trifluoromethyl)-2H-pyridin-2-ide?
The canonical SMILES for lithium 4-(trifluoromethyl)-2H-pyridin-2-ide is FC(F)(F)c1c[c-]ncc1.[Li+].
What is the InChIKey of lithium 4-(trifluoromethyl)-2H-pyridin-2-ide?
The InChIKey is AGOCUWAQVDGITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N.Li/c7-6(8,9)5-1-3-10-4-2-5;/h1-3H;/q-1;+1.
What are the key properties of lithium 4-(trifluoromethyl)-2H-pyridin-2-ide?
lithium 4-(trifluoromethyl)-2H-pyridin-2-ide has a molecular weight of 153.03 g/mol, XLogP of -1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(trifluoromethyl)-2H-pyridin-2-ide is sourced from PubChem (CID 134857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).