2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid

C12H7F3N2O3 — CID 81345956

IUPAC2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-4-2-1-3-6(7)8-5-9(10(18)19)17-11(20)16-8/h1-5H,(H,18,19)(H,16,17,20)
InChIKeyDSDQSTYMQWESJS-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.15
Rot. Bonds2

About 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid

2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid (PubChem CID 81345956) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid
PubChem CID81345956
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-4-2-1-3-6(7)8-5-9(10(18)19)17-11(20)16-8/h1-5H,(H,18,19)(H,16,17,20)
InChIKeyDSDQSTYMQWESJS-UHFFFAOYSA-N
XLogP2.15
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid (CID 81345956) is 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(-c2ccccc2C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid?
The InChIKey is DSDQSTYMQWESJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-4-2-1-3-6(7)8-5-9(10(18)19)17-11(20)16-8/h1-5H,(H,18,19)(H,16,17,20).
What are the key properties of 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid?
2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 81345956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).