2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

C15H12F3NO3 — CID 134627169

IUPAC2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESCOc1cncc(-c2cccc(C(F)(F)F)c2)c1CC(=O)O
InChIInChI=1S/C15H12F3NO3/c1-22-13-8-19-7-12(11(13)6-14(20)21)9-3-2-4-10(5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyXGEYYVUZKWLUFC-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134627169) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID134627169
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESCOc1cncc(-c2cccc(C(F)(F)F)c2)c1CC(=O)O
InChIInChI=1S/C15H12F3NO3/c1-22-13-8-19-7-12(11(13)6-14(20)21)9-3-2-4-10(5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyXGEYYVUZKWLUFC-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

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Related Compounds

2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131870032
2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131869550
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
2-[3-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]acetic acid
CID 134627185
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 134627169) is 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is COc1cncc(-c2cccc(C(F)(F)F)c2)c1CC(=O)O.
What is the InChIKey of 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is XGEYYVUZKWLUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-22-13-8-19-7-12(11(13)6-14(20)21)9-3-2-4-10(5-9)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,20,21).
What are the key properties of 2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-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-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134627169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).