chempirical

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

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

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

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

2,3,5-Trimethylpyrazine14667-55-160 % similar 3,6-Dimethylpyrazin-2-amine13134-38-852 % similar 2-Chloro-3-methylpyrazine95-58-948 % similar 2-Ethyl-3,5-dimethylpyrazine13925-07-044 % similar 2,5-Dimethylpyrazine123-32-042 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-641 % similar 2-Acetyl-3,5-dimethylpyrazine54300-08-240 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-039 % 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 3,5-Diaminochlorobenzene33786-89-9 2-Chloro-3,5-dimethylpyrazine38557-72-1 2-Chloro-4,6-dimethylpyrimidine4472-44-0 4-Chloro-2,6-dimethylpyrimidine4472-45-1 4-Chloro-M-phenylenediamine5131-60-2

Elsewhere

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