2-(3,5-difluoro-2-pyridinyl)acetic acid

C7H5F2NO2 — CID 55267813

IUPAC2-(3,5-difluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyXAIUEYODYSZRDR-UHFFFAOYSA-N
MW173.12 g/mol
LogP0.99
Rot. Bonds2

About 2-(3,5-difluoro-2-pyridinyl)acetic acid

2-(3,5-difluoro-2-pyridinyl)acetic acid (PubChem CID 55267813) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-difluoro-2-pyridinyl)acetic acid
PubChem CID55267813
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-(3,5-difluoro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyXAIUEYODYSZRDR-UHFFFAOYSA-N
XLogP0.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3,5-difluoro-2-pyridinyl)acetic acid (CID 55267813) is 2-(3,5-difluoro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3,5-difluoro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3,5-difluoro-2-pyridinyl)acetic acid is O=C(O)Cc1ncc(F)cc1F.
What is the InChIKey of 2-(3,5-difluoro-2-pyridinyl)acetic acid?
The InChIKey is XAIUEYODYSZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12).
What are the key properties of 2-(3,5-difluoro-2-pyridinyl)acetic acid?
2-(3,5-difluoro-2-pyridinyl)acetic acid has a molecular weight of 173.12 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-pyridinyl)acetic acid is sourced from PubChem (CID 55267813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).