2,4-Dimethyl-3-pyridinecarboxylic acid

C8H9NO2CAS 55314-30-2151.16 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

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55314-30-2
SMILES
CC1=C(C(=NC=C1)C)C(=O)O
InChIKey
XSZKVKMGSAAAJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)

Weigh it out

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Work with 2,4-Dimethyl-3-pyridinecarboxylic 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

4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-859 % similar 2,6-Dimethylbenzoic acid632-46-256 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-553 % similar 2-Methylnicotinic acid3222-56-853 % similar Ethyl 2,4-dimethylnicotinate37669-78-653 % similar 2-Chloro-6-methylbenzoic acid21327-86-649 % similar 4-Methylnicotinic acid3222-50-249 % similar 3-Methylpicolinic acid4021-07-249 % 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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