3-fluoro-5-pyridin-2-ylbenzoic acid

C12H8FNO2 — CID 103186412

IUPAC3-fluoro-5-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccccn2)c1
InChIInChI=1S/C12H8FNO2/c13-10-6-8(5-9(7-10)12(15)16)11-3-1-2-4-14-11/h1-7H,(H,15,16)
InChIKeyQYTQHZNGEJNCMN-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

About 3-fluoro-5-pyridin-2-ylbenzoic acid

3-fluoro-5-pyridin-2-ylbenzoic acid (PubChem CID 103186412) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-fluoro-5-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-pyridin-2-ylbenzoic acid
PubChem CID103186412
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name3-fluoro-5-pyridin-2-ylbenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccccn2)c1
InChIInChI=1S/C12H8FNO2/c13-10-6-8(5-9(7-10)12(15)16)11-3-1-2-4-14-11/h1-7H,(H,15,16)
InChIKeyQYTQHZNGEJNCMN-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 3-fluoro-5-pyridin-2-ylbenzoic acid?
The IUPAC name of 3-fluoro-5-pyridin-2-ylbenzoic acid (CID 103186412) is 3-fluoro-5-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 3-fluoro-5-pyridin-2-ylbenzoic acid?
The canonical SMILES for 3-fluoro-5-pyridin-2-ylbenzoic acid is O=C(O)c1cc(F)cc(-c2ccccn2)c1.
What is the InChIKey of 3-fluoro-5-pyridin-2-ylbenzoic acid?
The InChIKey is QYTQHZNGEJNCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-10-6-8(5-9(7-10)12(15)16)11-3-1-2-4-14-11/h1-7H,(H,15,16).
What are the key properties of 3-fluoro-5-pyridin-2-ylbenzoic acid?
3-fluoro-5-pyridin-2-ylbenzoic 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 3-fluoro-5-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 103186412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).