chempirical

5-Chloroquinaldine

C10H8ClNCAS 4964-69-6177.63 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C10H8ClN
Molar mass
177.63 g/mol
Exact mass
177.0345 Da
logP
3.20Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
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
4964-69-6
SMILES
CC1=NC2=C(C=C1)C(=CC=C2)Cl
InChIKey
VNFYMAPAENTMMO-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h2-6H,1H3

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Names and synonyms

1 names
  • 5-Chloro-2-methylquinoline

Work with 5-Chloroquinaldine

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

5-Aminoquinaldine54408-50-361 % similar 2,5-Dichloroquinoline59412-12-360 % similar 4-Chloro-2-methyl-7-(trifluoromethyl)quinoline18529-09-449 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-649 % similar Chlorquinaldol72-80-049 % similar 2,4-Dimethylquinoline1198-37-448 % similar 2,4-Dichloroquinoline703-61-748 % similar Quinaldine91-63-448 % similar

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

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-8-methylquinoline18436-73-2 8-Chloro-2-methylquinoline3033-82-7 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-6-methylquinoline4295-11-8 7-Chloroquinaldine4965-33-7 1-(4-Chlorophenyl)-1H-pyrrole5044-38-2 2-Chloro-3-methylquinoline57876-69-4

Elsewhere

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