4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid

C12H7F2NO2 — CID 54965819

IUPAC4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cncc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-8-1-2-10(12(16)17)11(4-8)7-3-9(14)6-15-5-7/h1-6H,(H,16,17)
InChIKeyYNVCQBPPMWEXKN-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.72
Rot. Bonds2

About 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid

4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid (PubChem CID 54965819) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
PubChem CID54965819
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cncc(F)c1
InChIInChI=1S/C12H7F2NO2/c13-8-1-2-10(12(16)17)11(4-8)7-3-9(14)6-15-5-7/h1-6H,(H,16,17)
InChIKeyYNVCQBPPMWEXKN-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 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid (CID 54965819) is 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid is O=C(O)c1ccc(F)cc1-c1cncc(F)c1.
What is the InChIKey of 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid?
The InChIKey is YNVCQBPPMWEXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-8-1-2-10(12(16)17)11(4-8)7-3-9(14)6-15-5-7/h1-6H,(H,16,17).
What are the key properties of 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid?
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic 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 4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid is sourced from PubChem (CID 54965819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).