3-Aminoisonicotinic acid

C6H6N2O2CAS 7579-20-6138.13 g/mol

Open in Covalent MOL file
NOHOH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.36Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
7579-20-6
SMILES
C1=CN=CC(=C1C(=O)O)N
InChIKey
FYEQKMAVRYRMBL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Aminoisonicotinic 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

Cinchomeronic acid490-11-967 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-961 % similar 3-Bromoisonicotinic acid13959-02-959 % similar 3-Fluoropyridine-4-carboxylic acid393-53-359 % similar 3-Methyl-isonicotinic acid4021-12-959 % similar 3-Chloroisonicotinic acid88912-27-059 % similar Anthranilic acid118-92-356 % similar 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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