sodium 5-methylpyridine-2-carboxylate

C7H6NNaO2 — CID 23707755

IUPACsodium 5-methylpyridine-2-carboxylate
SMILESCc1ccc(C(=O)[O-])nc1.[Na+]
InChIInChI=1S/C7H7NO2.Na/c1-5-2-3-6(7(9)10)8-4-5;/h2-4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyBWPTYYNSZUIZNZ-UHFFFAOYSA-M
MW159.12 g/mol
LogP-3.24
Rot. Bonds1

About sodium 5-methylpyridine-2-carboxylate

sodium 5-methylpyridine-2-carboxylate (PubChem CID 23707755) has the molecular formula C7H6NNaO2 and a molecular weight of 159.12 g/mol. Its IUPAC name is sodium 5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 5-methylpyridine-2-carboxylate
PubChem CID23707755
Molecular FormulaC7H6NNaO2
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Namesodium 5-methylpyridine-2-carboxylate
SMILESCc1ccc(C(=O)[O-])nc1.[Na+]
InChIInChI=1S/C7H7NO2.Na/c1-5-2-3-6(7(9)10)8-4-5;/h2-4H,1H3,(H,9,10);/q;+1/p-1
InChIKeyBWPTYYNSZUIZNZ-UHFFFAOYSA-M
XLogP-3.24
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
lithium 5-ethylpyridine-2-carboxylate
CID 58074033
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
lithium 5-carbamoylpyridine-2-carboxylate
CID 157023289
sodium;6-acetyl-N,N-dimethylpyridine-3-sulfonamide;5-(dimethylsulfamoyl)pyridine-2-carboxylate
CID 157495635
2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
CID 155973448
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
ethane;5-methyl-N-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 171564740
3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane
CID 144799349

Frequently Asked Questions

What is the IUPAC name of sodium 5-methylpyridine-2-carboxylate?
The IUPAC name of sodium 5-methylpyridine-2-carboxylate (CID 23707755) is sodium 5-methylpyridine-2-carboxylate.
What is the SMILES notation for sodium 5-methylpyridine-2-carboxylate?
The canonical SMILES for sodium 5-methylpyridine-2-carboxylate is Cc1ccc(C(=O)[O-])nc1.[Na+].
What is the InChIKey of sodium 5-methylpyridine-2-carboxylate?
The InChIKey is BWPTYYNSZUIZNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO2.Na/c1-5-2-3-6(7(9)10)8-4-5;/h2-4H,1H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 5-methylpyridine-2-carboxylate?
sodium 5-methylpyridine-2-carboxylate has a molecular weight of 159.12 g/mol, XLogP of -3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methylpyridine-2-carboxylate is sourced from PubChem (CID 23707755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).