2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid

C13H9F2NO2 — CID 23092036

IUPAC2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C13H9F2NO2/c14-10-4-1-8(2-5-10)12(13(17)18)9-3-6-11(15)16-7-9/h1-7,12H,(H,17,18)
InChIKeyRCIZTPFZSWEBJP-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid

2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid (PubChem CID 23092036) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid
PubChem CID23092036
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C13H9F2NO2/c14-10-4-1-8(2-5-10)12(13(17)18)9-3-6-11(15)16-7-9/h1-7,12H,(H,17,18)
InChIKeyRCIZTPFZSWEBJP-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
CID 170873795
(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
CID 55265570
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol
CID 124707954
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
CID 58378623
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
2,5-difluoropyridine;ethane
CID 156832194
(3S)-3-(4-fluorophenyl)-3-(2-propan-2-yloxypyrimidin-5-yl)propanoic acid
CID 126664331
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid (CID 23092036) is 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid is O=C(O)C(c1ccc(F)cc1)c1ccc(F)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid?
The InChIKey is RCIZTPFZSWEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-10-4-1-8(2-5-10)12(13(17)18)9-3-6-11(15)16-7-9/h1-7,12H,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid?
2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid has a molecular weight of 249.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(6-fluoro-3-pyridinyl)acetic acid is sourced from PubChem (CID 23092036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).