2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid

C7H5F3N2O3 — CID 136758159

IUPAC2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)5-3(1-4(13)14)6(15)12-2-11-5/h2H,1H2,(H,13,14)(H,11,12,15)
InChIKeyGGDAZLNFJBYTHZ-UHFFFAOYSA-N
MW222.12 g/mol
LogP0.42
Rot. Bonds2

About 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid

2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid (PubChem CID 136758159) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
PubChem CID136758159
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)5-3(1-4(13)14)6(15)12-2-11-5/h2H,1H2,(H,13,14)(H,11,12,15)
InChIKeyGGDAZLNFJBYTHZ-UHFFFAOYSA-N
XLogP0.42
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-acetyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135850586
5-(1,2-dihydroxy-3-sulfanylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 170820519
2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105497396
5-(3-hydroxyprop-1-ynyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169485474
5-[1,2-dihydroxy-3-(methylamino)propyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 171858584
methyl 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enoate
CID 170501498
2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 118704083
2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid
CID 135767185
2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 131472860
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid (CID 136758159) is 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid is O=C(O)Cc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is GGDAZLNFJBYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)5-3(1-4(13)14)6(15)12-2-11-5/h2H,1H2,(H,13,14)(H,11,12,15).
What are the key properties of 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid?
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 222.12 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 136758159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).