5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid

C13H10FNO2 — CID 79691259

IUPAC5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H10FNO2/c1-8-4-10(6-11(14)5-8)9-2-3-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyRYOSXOMFMDPIKJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.89
Rot. Bonds2

About 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid

5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 79691259) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
PubChem CID79691259
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H10FNO2/c1-8-4-10(6-11(14)5-8)9-2-3-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17)
InChIKeyRYOSXOMFMDPIKJ-UHFFFAOYSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid (CID 79691259) is 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid is Cc1cc(F)cc(-c2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is RYOSXOMFMDPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-8-4-10(6-11(14)5-8)9-2-3-12(13(16)17)15-7-9/h2-7H,1H3,(H,16,17).
What are the key properties of 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid?
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 79691259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).