sodium 3,5,6-trichloropyridin-2-olate

C5HCl3NNaO — CID 23662263

IUPACsodium 3,5,6-trichloropyridin-2-olate
SMILES[Na+].[O-]c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1
InChIKeyJAWYJCBOOSFRKD-UHFFFAOYSA-M
MW220.42 g/mol
LogP-0.88
Rot. Bonds

About sodium 3,5,6-trichloropyridin-2-olate

sodium 3,5,6-trichloropyridin-2-olate (PubChem CID 23662263) has the molecular formula C5HCl3NNaO and a molecular weight of 220.42 g/mol. Its IUPAC name is sodium 3,5,6-trichloropyridin-2-olate.

Molecular Properties

Compound Namesodium 3,5,6-trichloropyridin-2-olate
PubChem CID23662263
Molecular FormulaC5HCl3NNaO
Molecular Weight220.42 g/mol
Exact Mass218.90
IUPAC Namesodium 3,5,6-trichloropyridin-2-olate
SMILES[Na+].[O-]c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1
InChIKeyJAWYJCBOOSFRKD-UHFFFAOYSA-M
XLogP-0.88
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 3,5,6-trichloropyridin-2-olate?
The IUPAC name of sodium 3,5,6-trichloropyridin-2-olate (CID 23662263) is sodium 3,5,6-trichloropyridin-2-olate.
What is the SMILES notation for sodium 3,5,6-trichloropyridin-2-olate?
The canonical SMILES for sodium 3,5,6-trichloropyridin-2-olate is [Na+].[O-]c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of sodium 3,5,6-trichloropyridin-2-olate?
The InChIKey is JAWYJCBOOSFRKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H2Cl3NO.Na/c6-2-1-3(7)5(10)9-4(2)8;/h1H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3,5,6-trichloropyridin-2-olate?
sodium 3,5,6-trichloropyridin-2-olate has a molecular weight of 220.42 g/mol, XLogP of -0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3,5,6-trichloropyridin-2-olate is sourced from PubChem (CID 23662263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).