sodium 2-pyridin-2-ylpropanoate

C8H8NNaO2 — CID 86811828

IUPACsodium 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)[O-])c1ccccn1.[Na+]
InChIInChI=1S/C8H9NO2.Na/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyOWSJRIIGONCIIK-UHFFFAOYSA-M
MW173.15 g/mol
LogP-3.06
Rot. Bonds2

About sodium 2-pyridin-2-ylpropanoate

sodium 2-pyridin-2-ylpropanoate (PubChem CID 86811828) has the molecular formula C8H8NNaO2 and a molecular weight of 173.15 g/mol. Its IUPAC name is sodium 2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namesodium 2-pyridin-2-ylpropanoate
PubChem CID86811828
Molecular FormulaC8H8NNaO2
Molecular Weight173.15 g/mol
Exact Mass173.05
IUPAC Namesodium 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)[O-])c1ccccn1.[Na+]
InChIInChI=1S/C8H9NO2.Na/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyOWSJRIIGONCIIK-UHFFFAOYSA-M
XLogP-3.06
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-pyridin-2-ylpropanoate?
The IUPAC name of sodium 2-pyridin-2-ylpropanoate (CID 86811828) is sodium 2-pyridin-2-ylpropanoate.
What is the SMILES notation for sodium 2-pyridin-2-ylpropanoate?
The canonical SMILES for sodium 2-pyridin-2-ylpropanoate is CC(C(=O)[O-])c1ccccn1.[Na+].
What is the InChIKey of sodium 2-pyridin-2-ylpropanoate?
The InChIKey is OWSJRIIGONCIIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.Na/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-pyridin-2-ylpropanoate?
sodium 2-pyridin-2-ylpropanoate has a molecular weight of 173.15 g/mol, XLogP of -3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-pyridin-2-ylpropanoate is sourced from PubChem (CID 86811828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).