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

C12H8FNO2 — CID 131357741

IUPAC2-(5-fluoro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(F)cn1
InChIInChI=1S/C12H8FNO2/c13-8-5-6-11(14-7-8)9-3-1-2-4-10(9)12(15)16/h1-7H,(H,15,16)
InChIKeyTVMIBHPJTOXJBM-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

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

2-(5-fluoro-2-pyridinyl)benzoic acid (PubChem CID 131357741) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)benzoic acid
PubChem CID131357741
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name2-(5-fluoro-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(F)cn1
InChIInChI=1S/C12H8FNO2/c13-8-5-6-11(14-7-8)9-3-1-2-4-10(9)12(15)16/h1-7H,(H,15,16)
InChIKeyTVMIBHPJTOXJBM-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)benzoic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)benzoic acid (CID 131357741) is 2-(5-fluoro-2-pyridinyl)benzoic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)benzoic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)benzoic acid is O=C(O)c1ccccc1-c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)benzoic acid?
The InChIKey is TVMIBHPJTOXJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-8-5-6-11(14-7-8)9-3-1-2-4-10(9)12(15)16/h1-7H,(H,15,16).
What are the key properties of 2-(5-fluoro-2-pyridinyl)benzoic acid?
2-(5-fluoro-2-pyridinyl)benzoic acid has a molecular weight of 217.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)benzoic acid is sourced from PubChem (CID 131357741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).