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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Related Compounds

(E)-3-(dimethylamino)-1-[4-(trifluoromethyl)pyrimidin-2-yl]but-2-en-1-one
CID 68753152
4-(trifluoromethyl)pyrimidin-2-olate
CID 42553718
2-(1,3-dihydrobenzimidazol-2-ylidene)-2-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 45256305
2,4-bis(trifluoromethyl)pyrimidine;(Z)-but-2-enedioic acid
CID 174306920
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 64586044
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 75799947
acetylene;4-(trifluoromethyl)pyrimidin-2-amine
CID 142135177
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
3-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid
CID 64586234
2-[cyano-[4-(trifluoromethyl)pyrimidin-2-yl]methylidene]-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 66593275
(2E)-2-(6-nitro-3H-1,3-benzothiazol-2-ylidene)-2-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 45256661

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).