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

C13H9F2NO2 — CID 131870438

IUPAC2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)cnc1-c1ccccc1F
InChIInChI=1S/C13H9F2NO2/c14-9-5-8(6-12(17)18)13(16-7-9)10-3-1-2-4-11(10)15/h1-5,7H,6H2,(H,17,18)
InChIKeyZMXMOWAZZGPPGV-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.65
Rot. Bonds3

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

2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid (PubChem CID 131870438) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
PubChem CID131870438
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)cnc1-c1ccccc1F
InChIInChI=1S/C13H9F2NO2/c14-9-5-8(6-12(17)18)13(16-7-9)10-3-1-2-4-11(10)15/h1-5,7H,6H2,(H,17,18)
InChIKeyZMXMOWAZZGPPGV-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-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314319
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
2-(2-amino-5-fluoro-3-pyridinyl)acetic acid
CID 118995801
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
CID 131870062
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid (CID 131870438) is 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cc(F)cnc1-c1ccccc1F.
What is the InChIKey of 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid?
The InChIKey is ZMXMOWAZZGPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-9-5-8(6-12(17)18)13(16-7-9)10-3-1-2-4-11(10)15/h1-5,7H,6H2,(H,17,18).
What are the key properties of 2-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid?
2-[5-fluoro-2-(2-fluorophenyl)-3-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-[5-fluoro-2-(2-fluorophenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 131870438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).