sodium;hydride;5-methylpyridine-2-carboxylic acid

C7H8NNaO2 — CID 173118814

IUPACsodium;hydride;5-methylpyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1.[H-].[Na+]
InChIInChI=1S/C7H7NO2.Na.H/c1-5-2-3-6(7(9)10)8-4-5;;/h2-4H,1H3,(H,9,10);;/q;+1;-1
InChIKeyYOGSYPNKMJZYNY-UHFFFAOYSA-N
MW161.14 g/mol
LogP-1.80
Rot. Bonds1

About sodium;hydride;5-methylpyridine-2-carboxylic acid

sodium;hydride;5-methylpyridine-2-carboxylic acid (PubChem CID 173118814) has the molecular formula C7H8NNaO2 and a molecular weight of 161.14 g/mol. Its IUPAC name is sodium;hydride;5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;5-methylpyridine-2-carboxylic acid
PubChem CID173118814
Molecular FormulaC7H8NNaO2
Molecular Weight161.14 g/mol
Exact Mass161.05
IUPAC Namesodium;hydride;5-methylpyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1.[H-].[Na+]
InChIInChI=1S/C7H7NO2.Na.H/c1-5-2-3-6(7(9)10)8-4-5;;/h2-4H,1H3,(H,9,10);;/q;+1;-1
InChIKeyYOGSYPNKMJZYNY-UHFFFAOYSA-N
XLogP-1.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 5-methylpyridine-2-carboxylate
CID 23707755
5-[bis(4-methylphenyl)methyl]pyridine-2-carboxylic acid
CID 22748807
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
pyridine-2,5-dicarboxylic acid
CID 158970171
5-[2-[4-[2-(6-carboxy-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 132516488
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(3-chloro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53223480
2-(methylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;dihydrochloride
CID 155973448

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-methylpyridine-2-carboxylic acid?
The IUPAC name of sodium;hydride;5-methylpyridine-2-carboxylic acid (CID 173118814) is sodium;hydride;5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for sodium;hydride;5-methylpyridine-2-carboxylic acid?
The canonical SMILES for sodium;hydride;5-methylpyridine-2-carboxylic acid is Cc1ccc(C(=O)O)nc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-methylpyridine-2-carboxylic acid?
The InChIKey is YOGSYPNKMJZYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.Na.H/c1-5-2-3-6(7(9)10)8-4-5;;/h2-4H,1H3,(H,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;5-methylpyridine-2-carboxylic acid?
sodium;hydride;5-methylpyridine-2-carboxylic acid has a molecular weight of 161.14 g/mol, XLogP of -1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 173118814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).