2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid

C14H9F4NO3 — CID 133089301

IUPAC2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F4NO3/c15-10-5-9(6-12(20)21)13(19-7-10)8-1-3-11(4-2-8)22-14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyROWWVGJZOBEOGA-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.41
Rot. Bonds4

About 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid

2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid (PubChem CID 133089301) has the molecular formula C14H9F4NO3 and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
PubChem CID133089301
Molecular FormulaC14H9F4NO3
Molecular Weight315.22 g/mol
Exact Mass315.05
IUPAC Name2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F4NO3/c15-10-5-9(6-12(20)21)13(19-7-10)8-1-3-11(4-2-8)22-14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyROWWVGJZOBEOGA-UHFFFAOYSA-N
XLogP3.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870438
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 151499726

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid (CID 133089301) is 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid is O=C(O)Cc1cc(F)cnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid?
The InChIKey is ROWWVGJZOBEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO3/c15-10-5-9(6-12(20)21)13(19-7-10)8-1-3-11(4-2-8)22-14(16,17)18/h1-5,7H,6H2,(H,20,21).
What are the key properties of 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid?
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid has a molecular weight of 315.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 133089301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).