lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate

C6H2F3LiN2O2 — CID 146155155

IUPAClithium 4-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESO=C([O-])c1nccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C6H3F3N2O2.Li/c7-6(8,9)3-1-2-10-4(11-3)5(12)13;/h1-2H,(H,12,13);/q;+1/p-1
InChIKeyROLRHDRBAGFUMG-UHFFFAOYSA-M
MW198.03 g/mol
LogP-3.14
Rot. Bonds1

About lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate

lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate (PubChem CID 146155155) has the molecular formula C6H2F3LiN2O2 and a molecular weight of 198.03 g/mol. Its IUPAC name is lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namelithium 4-(trifluoromethyl)pyrimidine-2-carboxylate
PubChem CID146155155
Molecular FormulaC6H2F3LiN2O2
Molecular Weight198.03 g/mol
Exact Mass198.02
IUPAC Namelithium 4-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESO=C([O-])c1nccc(C(F)(F)F)n1.[Li+]
InChIInChI=1S/C6H3F3N2O2.Li/c7-6(8,9)3-1-2-10-4(11-3)5(12)13;/h1-2H,(H,12,13);/q;+1/p-1
InChIKeyROLRHDRBAGFUMG-UHFFFAOYSA-M
XLogP-3.14
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate?
The IUPAC name of lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate (CID 146155155) is lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate.
What is the SMILES notation for lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate?
The canonical SMILES for lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate is O=C([O-])c1nccc(C(F)(F)F)n1.[Li+].
What is the InChIKey of lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate?
The InChIKey is ROLRHDRBAGFUMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F3N2O2.Li/c7-6(8,9)3-1-2-10-4(11-3)5(12)13;/h1-2H,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate?
lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate has a molecular weight of 198.03 g/mol, XLogP of -3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate is sourced from PubChem (CID 146155155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).