sodium 2-hydroxy-2-pyridin-3-ylacetate

C7H6NNaO3 — CID 159760700

IUPACsodium 2-hydroxy-2-pyridin-3-ylacetate
SMILESO=C([O-])C(O)c1cccnc1.[Na+]
InChIInChI=1S/C7H7NO3.Na/c9-6(7(10)11)5-2-1-3-8-4-5;/h1-4,6,9H,(H,10,11);/q;+1/p-1
InChIKeyNEVMOQRMJHFXCN-UHFFFAOYSA-M
MW175.12 g/mol
LogP-4.13
Rot. Bonds2

About sodium 2-hydroxy-2-pyridin-3-ylacetate

sodium 2-hydroxy-2-pyridin-3-ylacetate (PubChem CID 159760700) has the molecular formula C7H6NNaO3 and a molecular weight of 175.12 g/mol. Its IUPAC name is sodium 2-hydroxy-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namesodium 2-hydroxy-2-pyridin-3-ylacetate
PubChem CID159760700
Molecular FormulaC7H6NNaO3
Molecular Weight175.12 g/mol
Exact Mass175.02
IUPAC Namesodium 2-hydroxy-2-pyridin-3-ylacetate
SMILESO=C([O-])C(O)c1cccnc1.[Na+]
InChIInChI=1S/C7H7NO3.Na/c9-6(7(10)11)5-2-1-3-8-4-5;/h1-4,6,9H,(H,10,11);/q;+1/p-1
InChIKeyNEVMOQRMJHFXCN-UHFFFAOYSA-M
XLogP-4.13
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-4.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium 2-hydroxy-2-pyridin-3-ylacetate with MolForge

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

Launch Full Analysis

Related Compounds

1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
CID 34177358
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141

Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxy-2-pyridin-3-ylacetate?
The IUPAC name of sodium 2-hydroxy-2-pyridin-3-ylacetate (CID 159760700) is sodium 2-hydroxy-2-pyridin-3-ylacetate.
What is the SMILES notation for sodium 2-hydroxy-2-pyridin-3-ylacetate?
The canonical SMILES for sodium 2-hydroxy-2-pyridin-3-ylacetate is O=C([O-])C(O)c1cccnc1.[Na+].
What is the InChIKey of sodium 2-hydroxy-2-pyridin-3-ylacetate?
The InChIKey is NEVMOQRMJHFXCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3.Na/c9-6(7(10)11)5-2-1-3-8-4-5;/h1-4,6,9H,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-hydroxy-2-pyridin-3-ylacetate?
sodium 2-hydroxy-2-pyridin-3-ylacetate has a molecular weight of 175.12 g/mol, XLogP of -4.13, 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-pyridin-3-ylacetate is sourced from PubChem (CID 159760700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).