2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid

C15H12F3NO3 — CID 163370850

IUPAC2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
SMILESCOc1cc(-c2cncc(CC(=O)O)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3/c1-22-13-5-10(4-12(6-13)15(16,17)18)11-2-9(3-14(20)21)7-19-8-11/h2,4-8H,3H2,1H3,(H,20,21)
InChIKeyQTKPHDVVGRNNSG-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.40
Rot. Bonds4

About 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid

2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid (PubChem CID 163370850) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
PubChem CID163370850
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
SMILESCOc1cc(-c2cncc(CC(=O)O)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NO3/c1-22-13-5-10(4-12(6-13)15(16,17)18)11-2-9(3-14(20)21)7-19-8-11/h2,4-8H,3H2,1H3,(H,20,21)
InChIKeyQTKPHDVVGRNNSG-UHFFFAOYSA-N
XLogP3.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic 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

2-[5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 170997237
2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid
CID 167824351
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
2-[5-[2-[[(2,4-dimethoxypyrimidine-5-carbonyl)-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 67459166
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
ethyl 5-[3-methoxy-5-(trifluoromethyl)phenyl]-2H-triazole-4-carboxylate
CID 169399340
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid (CID 163370850) is 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid is COc1cc(-c2cncc(CC(=O)O)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
The InChIKey is QTKPHDVVGRNNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-22-13-5-10(4-12(6-13)15(16,17)18)11-2-9(3-14(20)21)7-19-8-11/h2,4-8H,3H2,1H3,(H,20,21).
What are the key properties of 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid?
2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid has a molecular weight of 311.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 163370850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).