chempirical

3-Chloro-4-methylpyridazine

C5H5ClN2CAS 68206-04-2128.56 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C5H5ClN2
Molar mass
128.56 g/mol
Exact mass
128.0141 Da
logP
1.44Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68206-04-2
SMILES
CC1=C(N=NC=C1)Cl
InChIKey
JUCXIWZFENGFJP-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-8-5(4)6/h2-3H,1H3

Weigh it out

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Work with 3-Chloro-4-methylpyridazine

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

3,4-Dichloropyridazine1677-80-154 % similar 2-Chloro-3-methylpyridine18368-76-850 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-945 % similar 3-Chloropyridazine-4-carbonitrile1445-56-345 % similar 3-Bromo-2-chloro-4-methylpyridine55404-31-445 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-345 % similar 3,6-Dichloro-4-methylpyridazine19064-64-345 % similar 2,6-Dichloro-3-methylpyridine58584-94-445 % similar

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

Same formula

5-(Chloromethyl)pyrimidine101346-02-5 2-Amino-5-chloropyridine1072-98-6 3-Chloro-6-methylpyridazine1121-79-5 2-Chloro-4-methylpyrimidine13036-57-2 4-Amino-2-chloropyridine14432-12-3 4-Amino-3-chloropyridine19798-77-7 4-Chloro-2-pyridinamine19798-80-2 4-Chloro-3-pyridinamine20511-15-3

Elsewhere

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