2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid

C9H5F2NO3 — CID 131601802

IUPAC2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc(F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H5F2NO3/c10-5-2-1-4(3-12)6(7(5)11)8(13)9(14)15/h1-2,8,13H,(H,14,15)
InChIKeyWSPKCUAVVYRIKF-UHFFFAOYSA-N
MW213.14 g/mol
LogP0.95
Rot. Bonds2

About 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid

2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid (PubChem CID 131601802) has the molecular formula C9H5F2NO3 and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
PubChem CID131601802
Molecular FormulaC9H5F2NO3
Molecular Weight213.14 g/mol
Exact Mass213.02
IUPAC Name2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
SMILESN#Cc1ccc(F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H5F2NO3/c10-5-2-1-4(3-12)6(7(5)11)8(13)9(14)15/h1-2,8,13H,(H,14,15)
InChIKeyWSPKCUAVVYRIKF-UHFFFAOYSA-N
XLogP0.95
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid (CID 131601802) is 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid is N#Cc1ccc(F)c(F)c1C(O)C(=O)O.
What is the InChIKey of 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid?
The InChIKey is WSPKCUAVVYRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO3/c10-5-2-1-4(3-12)6(7(5)11)8(13)9(14)15/h1-2,8,13H,(H,14,15).
What are the key properties of 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid?
2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid has a molecular weight of 213.14 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131601802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).