2,6-difluoro-4-pyridin-2-ylbenzoic acid

C12H7F2NO2 — CID 176582239

IUPAC2,6-difluoro-4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccccn2)cc1F
InChIInChI=1S/C12H7F2NO2/c13-8-5-7(10-3-1-2-4-15-10)6-9(14)11(8)12(16)17/h1-6H,(H,16,17)
InChIKeyKJCRTPPYOJKCSF-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.72
Rot. Bonds2

About 2,6-difluoro-4-pyridin-2-ylbenzoic acid

2,6-difluoro-4-pyridin-2-ylbenzoic acid (PubChem CID 176582239) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 2,6-difluoro-4-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name2,6-difluoro-4-pyridin-2-ylbenzoic acid
PubChem CID176582239
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name2,6-difluoro-4-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccccn2)cc1F
InChIInChI=1S/C12H7F2NO2/c13-8-5-7(10-3-1-2-4-15-10)6-9(14)11(8)12(16)17/h1-6H,(H,16,17)
InChIKeyKJCRTPPYOJKCSF-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-pyridin-2-ylbenzoic acid?
The IUPAC name of 2,6-difluoro-4-pyridin-2-ylbenzoic acid (CID 176582239) is 2,6-difluoro-4-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 2,6-difluoro-4-pyridin-2-ylbenzoic acid?
The canonical SMILES for 2,6-difluoro-4-pyridin-2-ylbenzoic acid is O=C(O)c1c(F)cc(-c2ccccn2)cc1F.
What is the InChIKey of 2,6-difluoro-4-pyridin-2-ylbenzoic acid?
The InChIKey is KJCRTPPYOJKCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-8-5-7(10-3-1-2-4-15-10)6-9(14)11(8)12(16)17/h1-6H,(H,16,17).
What are the key properties of 2,6-difluoro-4-pyridin-2-ylbenzoic acid?
2,6-difluoro-4-pyridin-2-ylbenzoic acid has a molecular weight of 235.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 176582239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).