5-Aminonicotinic acid

C6H6N2O2CAS 24242-19-1138.13 g/mol

Open in Covalent MOL file
NH2NOOH
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 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
24242-19-1
SMILES
C1=C(C=NC=C1N)C(=O)O
InChIKey
BYIORJAACCWFPU-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)

Weigh it out

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

Work with 5-Aminonicotinic 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

Dinicotinic acid499-81-070 % similar 3,5-Diaminobenzoic acid535-87-562 % similar 3,5-Dicarboxyaniline99-31-062 % similar 5-Bromonicotinic acid20826-04-459 % similar 5-Hydroxynicotinic acid27828-71-359 % similar 5-Chloronicotinic acid22620-27-558 % similar 5-Methylnicotinic acid3222-49-958 % similar 5-Fluoronicotinic acid402-66-458 % 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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