5-Methoxy-2-pyrazinecarboxylic acid

C₆H₆N₂O₃CAS 40155-42-8154.13 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₆H₆N₂O₃
Molar mass: 154.13 g/mol
Exact mass: 154.0378 Da
logP: 0.18Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed81.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 22 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

40155-42-8

SMILES

COc1cnc(C(=O)O)cn1

InChIKey

YVGVOPNUEFTVQO-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O3/c1-11-5-3-7-4(2-8-5)6(9)10/h2-3H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

3 names

2-Pyrazinecarboxylic acid, 5-methoxy-
Pyrazinecarboxylic acid, 5-methoxy-
5-Methoxypyrazine-2-carboxylic acid

Work with 5-Methoxy-2-pyrazinecarboxylic 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

2,5-Pyrazinedicarboxylic acid122-05-464 % similar 6-Methoxynicotinic acid66572-55-258 % similar 2,5-Pyrazinedicarboxylic acid dihydrate205692-63-358 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-156 % similar 6-Methoxypyridazine-3-carboxylic acid56434-28-756 % similar 6-Methoxypicolinic acid26893-73-254 % similar 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-554 % similar 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-153 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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