chempirical

2,6-Dimethylisonicotinic acid

C8H9NO2CAS 54221-93-1151.16 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acid

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
logP
1.40Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54221-93-1
SMILES
CC1=CC(=CC(=N1)C)C(=O)O
InChIKey
JRJLLMLYUFAZOM-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11)

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Names and synonyms

1 names
  • 2,6-Dimethylpyridine-4-carboxylic acid

Work with 2,6-Dimethylisonicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-573 % similar 2-Methylpyridine-4-carboxylic acid4021-11-861 % similar Trimesic acid554-95-058 % similar 3,5-Dimethylbenzoic acid499-06-957 % similar Uvitic acid499-49-057 % similar Citrazinic acid99-11-655 % similar 2,6-Dibromopyridine-4-carboxylic acid2016-99-153 % similar 2,6-Dichloroisonicotinic acid5398-44-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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