sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate

C6H2FN2NaO2 — CID 23681906

IUPACsodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate
SMILESN#Cc1cc(F)c([O-])[nH]c1=O.[Na+]
InChIInChI=1S/C6H3FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,(H2,9,10,11);/q;+1/p-1
InChIKeySJHUNBZKNWZYPE-UHFFFAOYSA-M
MW176.08 g/mol
LogP-3.54
Rot. Bonds

About sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate

sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate (PubChem CID 23681906) has the molecular formula C6H2FN2NaO2 and a molecular weight of 176.08 g/mol. Its IUPAC name is sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate.

Molecular Properties

Compound Namesodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate
PubChem CID23681906
Molecular FormulaC6H2FN2NaO2
Molecular Weight176.08 g/mol
Exact Mass176.00
IUPAC Namesodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate
SMILESN#Cc1cc(F)c([O-])[nH]c1=O.[Na+]
InChIInChI=1S/C6H3FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,(H2,9,10,11);/q;+1/p-1
InChIKeySJHUNBZKNWZYPE-UHFFFAOYSA-M
XLogP-3.54
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 5-3.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate?
The IUPAC name of sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate (CID 23681906) is sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate.
What is the SMILES notation for sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate?
The canonical SMILES for sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate is N#Cc1cc(F)c([O-])[nH]c1=O.[Na+].
What is the InChIKey of sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate?
The InChIKey is SJHUNBZKNWZYPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,(H2,9,10,11);/q;+1/p-1.
What are the key properties of sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate?
sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate has a molecular weight of 176.08 g/mol, XLogP of -3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-cyano-3-fluoro-6-oxo-1H-pyridin-2-olate is sourced from PubChem (CID 23681906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).