3-Chloro-2-pyrazine-carboxylic acid

C₅H₃ClN₂O₂CAS 27398-39-6158.54 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₃ClN₂O₂
Molar mass: 158.54 g/mol
Exact mass: 157.9883 Da
logP: 0.83Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27398-39-6

SMILES

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

InChIKey

PMRPVXLESNMKLG-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)

Weigh it out

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

Work with 3-Chloro-2-pyrazine-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

2,3-Pyrazinedicarboxylic acid89-01-068 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-555 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-155 % similar 2-Chloronicotinic acid2942-59-855 % similar 3-Chloropyridine-2-carboxylic acid57266-69-055 % similar Pyrazine-2,3-dicarboxylic acid monoamide67367-37-753 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-053 % similar 2,4-Dichloronicotinic acid262423-77-853 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

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