2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid

C13H9F2NO2 — CID 46314266

IUPAC2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C13H9F2NO2/c14-10-3-1-2-8(4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6H2,(H,17,18)
InChIKeyYUZNQNFXDFZXFJ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.65
Rot. Bonds3

About 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid

2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid (PubChem CID 46314266) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
PubChem CID46314266
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C13H9F2NO2/c14-10-3-1-2-8(4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6H2,(H,17,18)
InChIKeyYUZNQNFXDFZXFJ-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710
[3-chloro-5-(3-fluorophenyl)-2-pyridinyl]methanol
CID 67155008
2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314319
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
CID 71086645
2-[2-(3-fluorophenyl)-4-methoxypyrimidin-5-yl]acetic acid
CID 117225482

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid (CID 46314266) is 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(-c2cccc(F)c2)cc1F.
What is the InChIKey of 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid?
The InChIKey is YUZNQNFXDFZXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-10-3-1-2-8(4-10)9-5-11(15)12(16-7-9)6-13(17)18/h1-5,7H,6H2,(H,17,18).
What are the key properties of 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid?
2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid has a molecular weight of 249.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(3-fluorophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 46314266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).