5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid

C9H7FN2O3 — CID 68844545

IUPAC5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(CCF)[nH]c1=O
InChIInChI=1S/C9H7FN2O3/c10-2-1-7-6(9(14)15)3-5(4-11)8(13)12-7/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyWLNXDIHQXRMJDS-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.46
Rot. Bonds3

About 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 68844545) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID68844545
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(CCF)[nH]c1=O
InChIInChI=1S/C9H7FN2O3/c10-2-1-7-6(9(14)15)3-5(4-11)8(13)12-7/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyWLNXDIHQXRMJDS-UHFFFAOYSA-N
XLogP0.46
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 68844545) is 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(CCF)[nH]c1=O.
What is the InChIKey of 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is WLNXDIHQXRMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-2-1-7-6(9(14)15)3-5(4-11)8(13)12-7/h3H,1-2H2,(H,12,13)(H,14,15).
What are the key properties of 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 210.16 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 68844545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).