5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid

C12H7F3N2O3 — CID 117231567

IUPAC5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-3-8(4-2-7)20-9-5-16-10(11(18)19)17-6-9/h1-6H,(H,18,19)
InChIKeyCMSQNFICVHLZOR-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.99
Rot. Bonds3

About 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid

5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid (PubChem CID 117231567) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
PubChem CID117231567
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Oc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-3-8(4-2-7)20-9-5-16-10(11(18)19)17-6-9/h1-6H,(H,18,19)
InChIKeyCMSQNFICVHLZOR-UHFFFAOYSA-N
XLogP2.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenoxy)pyrimidine-2-carboxylic acid
CID 115055193
2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
CID 117189542
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 154164722

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid (CID 117231567) is 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid is O=C(O)c1ncc(Oc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid?
The InChIKey is CMSQNFICVHLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-1-3-8(4-2-7)20-9-5-16-10(11(18)19)17-6-9/h1-6H,(H,18,19).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid?
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 117231567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).