3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid

C13H7FN2O2 — CID 53223141

IUPAC3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
SMILESN#Cc1cccc(-c2cccnc2C(=O)O)c1F
InChIInChI=1S/C13H7FN2O2/c14-11-8(7-15)3-1-4-9(11)10-5-2-6-16-12(10)13(17)18/h1-6H,(H,17,18)
InChIKeyBDIUXVZZMAOQBR-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.46
Rot. Bonds2

About 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid

3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 53223141) has the molecular formula C13H7FN2O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID53223141
Molecular FormulaC13H7FN2O2
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
SMILESN#Cc1cccc(-c2cccnc2C(=O)O)c1F
InChIInChI=1S/C13H7FN2O2/c14-11-8(7-15)3-1-4-9(11)10-5-2-6-16-12(10)13(17)18/h1-6H,(H,17,18)
InChIKeyBDIUXVZZMAOQBR-UHFFFAOYSA-N
XLogP2.46
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid (CID 53223141) is 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid is N#Cc1cccc(-c2cccnc2C(=O)O)c1F.
What is the InChIKey of 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is BDIUXVZZMAOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2/c14-11-8(7-15)3-1-4-9(11)10-5-2-6-16-12(10)13(17)18/h1-6H,(H,17,18).
What are the key properties of 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid?
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 242.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).