6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid

C6H3F3N2O3 — CID 10750850

IUPAC6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-10-1-2(4(13)14)3(12)11-5/h1H,(H,13,14)(H,10,11,12)
InChIKeyCNLZIQCTGUBLFK-UHFFFAOYSA-N
MW208.09 g/mol
LogP0.49
Rot. Bonds1

About 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 10750850) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID10750850
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-10-1-2(4(13)14)3(12)11-5/h1H,(H,13,14)(H,10,11,12)
InChIKeyCNLZIQCTGUBLFK-UHFFFAOYSA-N
XLogP0.49
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 295779
2-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 21473456
6-Oxo-2-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 62020374
6-Oxo-2-(3,3,3-trifluoropropyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 79964923
6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-5-carboxylic acid
CID 103150195
2-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 103150196
5-(hydroxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 130123874
6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
CID 152762208
4-Hydroxy-2-[(2,2,2-trifluoroacetamido)methyl]pyrimidine-5-carboxylic acid
CID 165663900
4-Hydroxy-2-(2,2,2-trifluoroacetamido)pyrimidine-5-carboxylic acid
CID 165917089
2-Tert-butyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 59356612
ethane;2-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 141822332

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid (CID 10750850) is 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CNLZIQCTGUBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-6(8,9)5-10-1-2(4(13)14)3(12)11-5/h1H,(H,13,14)(H,10,11,12).
What are the key properties of 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 208.09 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10750850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).