3-Chloro-2,5-dimethylpyrazine

C6H7ClN2CAS 95-89-6142.59 g/mol

Open in Covalent MOL file
NClN
Aryl halide

Properties

Molecular formula
C6H7ClN2
Molar mass
142.59 g/mol
Exact mass
142.0298 Da
Boiling point
66–69 °C
logP
1.75Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
95-89-6
SMILES
Cc1cnc(C)c(Cl)n1
InChIKey
NNBALVIZMGWZHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3

Weigh it out

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Names and synonyms

3 names
  • Pyrazine, 3-chloro-2,5-dimethyl-
  • 2-Chloro-3,6-dimethylpyrazine
  • NSC 40820

Work with 3-Chloro-2,5-dimethylpyrazine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-3,5-dimethylpyrazine38557-72-169 % similar 2,3,5-Trimethylpyrazine14667-55-160 % similar 3,6-Dimethylpyrazin-2-amine13134-38-852 % similar 2-Chloro-3-methylpyrazine95-58-948 % similar 2-Amino-3,5-dimethylpyrazine91678-81-847 % similar 2-Ethyl-3,5-dimethylpyrazine13925-07-044 % similar 2,5-Dimethylpyrazine123-32-042 % similar 2-Chloro-5-methylpyrazine59303-10-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Chlorophenyl)hydrazine1073-69-4 2-Chloro-5-ethylpyrimidine111196-81-7 3-Amino-2-chloro-4-methylpyridine133627-45-9 (2-Chloropyridin-4-yl)methanamine144900-57-2 3-Amino-6-chloro-2-picoline164666-68-6 (4-Chloropyridin-2-yl)methanamine180748-30-5 (2-Chloropyridin-3-yl)methanamine205744-14-5 2-Amino-5-chloro-3-methylpyridine20712-16-7

Elsewhere

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