sodium 3-methoxypyridine-2-carboxylate

C7H6NNaO3 — CID 66803094

IUPACsodium 3-methoxypyridine-2-carboxylate
SMILESCOc1cccnc1C(=O)[O-].[Na+]
InChIInChI=1S/C7H7NO3.Na/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyPHKUVTNZOMOYLX-UHFFFAOYSA-M
MW175.12 g/mol
LogP-3.54
Rot. Bonds2

About sodium 3-methoxypyridine-2-carboxylate

sodium 3-methoxypyridine-2-carboxylate (PubChem CID 66803094) has the molecular formula C7H6NNaO3 and a molecular weight of 175.12 g/mol. Its IUPAC name is sodium 3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 3-methoxypyridine-2-carboxylate
PubChem CID66803094
Molecular FormulaC7H6NNaO3
Molecular Weight175.12 g/mol
Exact Mass175.02
IUPAC Namesodium 3-methoxypyridine-2-carboxylate
SMILESCOc1cccnc1C(=O)[O-].[Na+]
InChIInChI=1S/C7H7NO3.Na/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyPHKUVTNZOMOYLX-UHFFFAOYSA-M
XLogP-3.54
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-3.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 3-methoxypyridine-2-carboxylate
CID 159434407
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
3-methoxy-2-prop-1-en-2-ylpyridine
CID 146416836
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
CID 114053733
lithium 3-[(4,6-dimethoxypyrimidin-2-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 23666953
sodium 2-(3-methoxy-2-pyridinyl)pentanoate
CID 86812313
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590

Frequently Asked Questions

What is the IUPAC name of sodium 3-methoxypyridine-2-carboxylate?
The IUPAC name of sodium 3-methoxypyridine-2-carboxylate (CID 66803094) is sodium 3-methoxypyridine-2-carboxylate.
What is the SMILES notation for sodium 3-methoxypyridine-2-carboxylate?
The canonical SMILES for sodium 3-methoxypyridine-2-carboxylate is COc1cccnc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-methoxypyridine-2-carboxylate?
The InChIKey is PHKUVTNZOMOYLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3.Na/c1-11-5-3-2-4-8-6(5)7(9)10;/h2-4H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3-methoxypyridine-2-carboxylate?
sodium 3-methoxypyridine-2-carboxylate has a molecular weight of 175.12 g/mol, XLogP of -3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 66803094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).