chempirical

3-Amino-2-methoxy-4-pyridinecarboxylic acid

C7H8N2O3CAS 870997-81-2168.15 g/mol

Open in Covalent MOL file
ONH2NOOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
logP
0.37Crippen estimate
Polar surface area
85.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

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
870997-81-2
SMILES
COC1=NC=CC(=C1N)C(=O)O
InChIKey
ABVDQGNEDSKBLA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,8H2,1H3,(H,10,11)

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Names and synonyms

1 names
  • 3-Amino-2-methoxyisonicotinic acid

Work with 3-Amino-2-methoxy-4-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

2-Methoxynicotinic acid16498-81-063 % similar 2-Amino-3-methoxybenzoic acid3177-80-856 % similar 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-749 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-448 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-448 % similar 5-Fluoro-2-methoxynicotinic acid884494-82-048 % similar 2-Amino-4-methoxybenzoic acid4294-95-548 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-748 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-5 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5

Elsewhere

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