2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid

C15H12F3NO4 — CID 134620790

IUPAC2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)c(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C15H12F3NO4/c1-22-13-6-9(7-14(20)21)11(8-19-13)10-4-2-3-5-12(10)23-15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyQMWNMTIWCZXAEI-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.28
Rot. Bonds5

About 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid

2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134620790) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
PubChem CID134620790
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)c(-c2ccccc2OC(F)(F)F)cn1
InChIInChI=1S/C15H12F3NO4/c1-22-13-6-9(7-14(20)21)11(8-19-13)10-4-2-3-5-12(10)23-15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyQMWNMTIWCZXAEI-UHFFFAOYSA-N
XLogP3.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-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-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133089142

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid (CID 134620790) is 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is COc1cc(CC(=O)O)c(-c2ccccc2OC(F)(F)F)cn1.
What is the InChIKey of 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is QMWNMTIWCZXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-13-6-9(7-14(20)21)11(8-19-13)10-4-2-3-5-12(10)23-15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid?
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 327.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134620790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).