lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate

C7H4F3LiN2O2 — CID 155943369

IUPAClithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate
SMILESO=C([O-])Cc1cncc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C7H5F3N2O2.Li/c8-7(9,10)5-3-11-2-4(12-5)1-6(13)14;/h2-3H,1H2,(H,13,14);/q;+1/p-1
InChIKeyKVUVYLYHDQCCSU-UHFFFAOYSA-M
MW212.06 g/mol
LogP-3.21
Rot. Bonds2

About lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate

lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate (PubChem CID 155943369) has the molecular formula C7H4F3LiN2O2 and a molecular weight of 212.06 g/mol. Its IUPAC name is lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate.

Molecular Properties

Compound Namelithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate
PubChem CID155943369
Molecular FormulaC7H4F3LiN2O2
Molecular Weight212.06 g/mol
Exact Mass212.04
IUPAC Namelithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate
SMILESO=C([O-])Cc1cncc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C7H5F3N2O2.Li/c8-7(9,10)5-3-11-2-4(12-5)1-6(13)14;/h2-3H,1H2,(H,13,14);/q;+1/p-1
InChIKeyKVUVYLYHDQCCSU-UHFFFAOYSA-M
XLogP-3.21
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 5-3.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate?
The IUPAC name of lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate (CID 155943369) is lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate.
What is the SMILES notation for lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate?
The canonical SMILES for lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate is O=C([O-])Cc1cncc(C(F)(F)F)n1.[Li+].
What is the InChIKey of lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate?
The InChIKey is KVUVYLYHDQCCSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3N2O2.Li/c8-7(9,10)5-3-11-2-4(12-5)1-6(13)14;/h2-3H,1H2,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate?
lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate has a molecular weight of 212.06 g/mol, XLogP of -3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[6-(trifluoromethyl)pyrazin-2-yl]acetate is sourced from PubChem (CID 155943369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).