2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid

C13H9F2NO3 — CID 68688446

IUPAC2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1ccccc1=O
InChIInChI=1S/C13H9F2NO3/c14-9-5-4-8(7-10(9)15)12(13(18)19)16-6-2-1-3-11(16)17/h1-7,12H,(H,18,19)
InChIKeyMJADTGFMNPAJQP-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.80
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid

2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid (PubChem CID 68688446) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
PubChem CID68688446
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1ccccc1=O
InChIInChI=1S/C13H9F2NO3/c14-9-5-4-8(7-10(9)15)12(13(18)19)16-6-2-1-3-11(16)17/h1-7,12H,(H,18,19)
InChIKeyMJADTGFMNPAJQP-UHFFFAOYSA-N
XLogP1.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
2-(3,4-difluorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 23092033
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
2-(4-chlorophenyl)-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 19907600
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid (CID 68688446) is 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid is O=C(O)C(c1ccc(F)c(F)c1)n1ccccc1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid?
The InChIKey is MJADTGFMNPAJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-9-5-4-8(7-10(9)15)12(13(18)19)16-6-2-1-3-11(16)17/h1-7,12H,(H,18,19).
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid?
2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid has a molecular weight of 265.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 68688446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).