5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid

C13H10FNO2 — CID 110082212

IUPAC5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H10FNO2/c14-12-3-1-2-9(6-12)4-10-5-11(13(16)17)8-15-7-10/h1-3,5-8H,4H2,(H,16,17)
InChIKeyUGLKXFLOLGWOME-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid

5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 110082212) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid
PubChem CID110082212
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H10FNO2/c14-12-3-1-2-9(6-12)4-10-5-11(13(16)17)8-15-7-10/h1-3,5-8H,4H2,(H,16,17)
InChIKeyUGLKXFLOLGWOME-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid (CID 110082212) is 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(Cc2cccc(F)c2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is UGLKXFLOLGWOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-3-1-2-9(6-12)4-10-5-11(13(16)17)8-15-7-10/h1-3,5-8H,4H2,(H,16,17).
What are the key properties of 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid?
5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).