2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid

C19H14F3N3O4 — CID 15389849

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCOc1cc(OC)nc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2C(=O)O)n1
InChIInChI=1S/C19H14F3N3O4/c1-28-14-9-15(29-2)25-17(24-14)11-6-3-5-10(16(11)18(26)27)12-7-4-8-13(23-12)19(20,21)22/h3-9H,1-2H3,(H,26,27)
InChIKeyRIFJUMUJDCHDAX-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.94
Rot. Bonds5

About 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid

2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 15389849) has the molecular formula C19H14F3N3O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID15389849
Molecular FormulaC19H14F3N3O4
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESCOc1cc(OC)nc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2C(=O)O)n1
InChIInChI=1S/C19H14F3N3O4/c1-28-14-9-15(29-2)25-17(24-14)11-6-3-5-10(16(11)18(26)27)12-7-4-8-13(23-12)19(20,21)22/h3-9H,1-2H3,(H,26,27)
InChIKeyRIFJUMUJDCHDAX-UHFFFAOYSA-N
XLogP3.94
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 15389849) is 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid is COc1cc(OC)nc(-c2cccc(-c3cccc(C(F)(F)F)n3)c2C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is RIFJUMUJDCHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4/c1-28-14-9-15(29-2)25-17(24-14)11-6-3-5-10(16(11)18(26)27)12-7-4-8-13(23-12)19(20,21)22/h3-9H,1-2H3,(H,26,27).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 405.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 15389849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).