5-(2-cyanophenyl)pyridine-3-carboxylic acid

C13H8N2O2 — CID 50999377

IUPAC5-(2-cyanophenyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccccc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C13H8N2O2/c14-6-9-3-1-2-4-12(9)10-5-11(13(16)17)8-15-7-10/h1-5,7-8H,(H,16,17)
InChIKeyZDZSTNJZTGNOQM-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-cyanophenyl)pyridine-3-carboxylic acid

5-(2-cyanophenyl)pyridine-3-carboxylic acid (PubChem CID 50999377) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(2-cyanophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyanophenyl)pyridine-3-carboxylic acid
PubChem CID50999377
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name5-(2-cyanophenyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccccc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C13H8N2O2/c14-6-9-3-1-2-4-12(9)10-5-11(13(16)17)8-15-7-10/h1-5,7-8H,(H,16,17)
InChIKeyZDZSTNJZTGNOQM-UHFFFAOYSA-N
XLogP2.32
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-cyanophenyl)pyridine-3-carboxylic acid (CID 50999377) is 5-(2-cyanophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyanophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-cyanophenyl)pyridine-3-carboxylic acid is N#Cc1ccccc1-c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-cyanophenyl)pyridine-3-carboxylic acid?
The InChIKey is ZDZSTNJZTGNOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c14-6-9-3-1-2-4-12(9)10-5-11(13(16)17)8-15-7-10/h1-5,7-8H,(H,16,17).
What are the key properties of 5-(2-cyanophenyl)pyridine-3-carboxylic acid?
5-(2-cyanophenyl)pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 50999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).