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

C14H9F4NO2 — CID 133089726

IUPAC2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F4NO2/c15-12-5-9(6-13(20)21)11(7-19-12)8-1-3-10(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyUNZRPUNWKAOFCU-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.53
Rot. Bonds3

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

2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 133089726) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID133089726
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Name2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F4NO2/c15-12-5-9(6-13(20)21)11(7-19-12)8-1-3-10(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyUNZRPUNWKAOFCU-UHFFFAOYSA-N
XLogP3.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
2-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]acetic acid
CID 105423919
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 159169161
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
3-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propanoic acid
CID 105423991
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 133089726) is 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is O=C(O)Cc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is UNZRPUNWKAOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c15-12-5-9(6-13(20)21)11(7-19-12)8-1-3-10(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21).
What are the key properties of 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 299.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 133089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).