sodium pyridin-3-olate

C5H4NNaO — CID 2723769

IUPACsodium pyridin-3-olate
SMILES[Na+].[O-]c1cccnc1
InChIInChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
InChIKeyWHYQZPOBOBSAIS-UHFFFAOYSA-M
MW117.08 g/mol
LogP-2.84
Rot. Bonds

About sodium pyridin-3-olate

sodium pyridin-3-olate (PubChem CID 2723769) has the molecular formula C5H4NNaO and a molecular weight of 117.08 g/mol. Its IUPAC name is sodium pyridin-3-olate.

Molecular Properties

Compound Namesodium pyridin-3-olate
PubChem CID2723769
Molecular FormulaC5H4NNaO
Molecular Weight117.08 g/mol
Exact Mass117.02
IUPAC Namesodium pyridin-3-olate
SMILES[Na+].[O-]c1cccnc1
InChIInChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
InChIKeyWHYQZPOBOBSAIS-UHFFFAOYSA-M
XLogP-2.84
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium pyridin-3-olate?
The IUPAC name of sodium pyridin-3-olate (CID 2723769) is sodium pyridin-3-olate.
What is the SMILES notation for sodium pyridin-3-olate?
The canonical SMILES for sodium pyridin-3-olate is [Na+].[O-]c1cccnc1.
What is the InChIKey of sodium pyridin-3-olate?
The InChIKey is WHYQZPOBOBSAIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1.
What are the key properties of sodium pyridin-3-olate?
sodium pyridin-3-olate has a molecular weight of 117.08 g/mol, XLogP of -2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyridin-3-olate is sourced from PubChem (CID 2723769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).