3-Amino-6-chloropyrazine-2-carboxylic acid

C₅H₄ClN₃O₂CAS 2727-13-1173.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₄ClN₃O₂
Molar mass: 173.56 g/mol
Exact mass: 172.9992 Da
logP: 0.41Crippen estimate
Polar surface area: 89.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation94.7% of notifiers
H319 Causes serious eye irritation94.7% of notifiers
H335 May cause respiratory irritation94.7% of notifiers

Aggregated from 19 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

2727-13-1

SMILES

C1=C(N=C(C(=N1)N)C(=O)O)Cl

InChIKey

TZEPSUWOCPVNMM-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)

Weigh it out

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

Names and synonyms

1 names

3-Amino-6-chloro-pyrazine-2-carboxylic acid

Work with 3-Amino-6-chloropyrazine-2-carboxylic 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

3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-762 % similar Methyl 3-amino-6-chloropyrazine-2-carboxylate1458-03-357 % similar Aminopyralid150114-71-956 % similar 3-Amino-6-chloropyridine-2-carboxylic acid866807-27-455 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-154 % similar Clopyralid1702-17-650 % similar 5-Chloro-2-pyrazinecarboxylic acid36070-80-149 % similar 2-Amino-3,5-dichloropyrazine873-42-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-chloro-3-nitropyridine136901-10-5 4-Chloro-5-nitropyridin-2-amine24484-96-6 2-Chloro-5-nitropyridin-4-amine2604-39-9 2-Amino-6-chloro-3-nitropyridine27048-04-0 4-Amino-2-chloro-3-nitropyridine2789-25-5 2-Amino-5-chloro-3-nitropyridine409-39-2 2-Amino-5-chloro-3-nitropyridine5409-39-2 2-Amino-4-chloro-3-nitropyridine6980-08-1

Elsewhere

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