2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid

C13H9F2NO2 — CID 116824693

IUPAC2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO2/c14-8-4-5-9(10(15)7-8)12(13(17)18)11-3-1-2-6-16-11/h1-7,12H,(H,17,18)
InChIKeyVQKYTUCNBSZLRZ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.58
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid

2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid (PubChem CID 116824693) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
PubChem CID116824693
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(c1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO2/c14-8-4-5-9(10(15)7-8)12(13(17)18)11-3-1-2-6-16-11/h1-7,12H,(H,17,18)
InChIKeyVQKYTUCNBSZLRZ-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

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Related Compounds

2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
CID 116824679
3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 71628511
N-(3-fluorophenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373414
2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
1-(2-bromo-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 103931399

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid (CID 116824693) is 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid is O=C(O)C(c1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid?
The InChIKey is VQKYTUCNBSZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-8-4-5-9(10(15)7-8)12(13(17)18)11-3-1-2-6-16-11/h1-7,12H,(H,17,18).
What are the key properties of 2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid?
2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic 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-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 116824693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).