chempirical

2,3-Diamino-6-chlorobenzonitrile

C7H6ClN3CAS 548457-80-3167.60 g/mol

Open in Covalent MOL file
H2NNH2NCl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H6ClN3
Molar mass
167.60 g/mol
Exact mass
167.0250 Da
logP
1.38Crippen estimate
Polar surface area
75.8 Ų
H-bond donors / acceptors
2 / 3
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
548457-80-3
SMILES
C1=CC(=C(C(=C1N)N)C#N)Cl
InChIKey
FJSOJNZXBJCWNZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClN3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-2H,10-11H2

Weigh it out

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Work with 2,3-Diamino-6-chlorobenzonitrile

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-Amino-6-chlorobenzonitrile6575-11-761 % similar 2,6-Dichlorobenzonitrile1194-65-652 % similar 4-Amino-3-chlorobenzonitrile21803-75-850 % similar 3-Amino-4-chlorobenzonitrile53312-79-150 % similar 2-Amino-3-chlorobenzonitrile53312-77-947 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-445 % similar 2-Chloro-6-methylbenzonitrile6575-09-343 % similar 2-Chloro-6-fluorobenzonitrile668-45-143 % similar

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

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-6 6-Chloro-1H-indazol-3-amine16889-21-7 3-Chloro-2H-indazol-6-amine21413-23-0 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-5 2-Amino-5-chlorobenzimidazole5418-93-9 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-4

Elsewhere

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