sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate

C8H8NNaO3 — CID 146050028

IUPACsodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate
SMILESCc1cccc(C(O)C(=O)[O-])n1.[Na+]
InChIInChI=1S/C8H9NO3.Na/c1-5-3-2-4-6(9-5)7(10)8(11)12;/h2-4,7,10H,1H3,(H,11,12);/q;+1/p-1
InChIKeyQFJCQRMPQGNMHL-UHFFFAOYSA-M
MW189.15 g/mol
LogP-3.82
Rot. Bonds2

About sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate

sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate (PubChem CID 146050028) has the molecular formula C8H8NNaO3 and a molecular weight of 189.15 g/mol. Its IUPAC name is sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namesodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate
PubChem CID146050028
Molecular FormulaC8H8NNaO3
Molecular Weight189.15 g/mol
Exact Mass189.04
IUPAC Namesodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate
SMILESCc1cccc(C(O)C(=O)[O-])n1.[Na+]
InChIInChI=1S/C8H9NO3.Na/c1-5-3-2-4-6(9-5)7(10)8(11)12;/h2-4,7,10H,1H3,(H,11,12);/q;+1/p-1
InChIKeyQFJCQRMPQGNMHL-UHFFFAOYSA-M
XLogP-3.82
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate?
The IUPAC name of sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate (CID 146050028) is sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate.
What is the SMILES notation for sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate?
The canonical SMILES for sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate is Cc1cccc(C(O)C(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate?
The InChIKey is QFJCQRMPQGNMHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO3.Na/c1-5-3-2-4-6(9-5)7(10)8(11)12;/h2-4,7,10H,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate?
sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate has a molecular weight of 189.15 g/mol, XLogP of -3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxy-2-(6-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 146050028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).