chempirical

7-Chloroquinaldine

C10H8ClNCAS 4965-33-7177.63 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C10H8ClN
Molar mass
177.63 g/mol
Exact mass
177.0345 Da
Melting point
74.5–76 °C
Boiling point
280–282 °C (at 761 Torr)
logP
3.20Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4965-33-7
SMILES
Cc1ccc2ccc(Cl)cc2n1
InChIKey
WQZQFYRSYLXBGP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Quinoline, 7-chloro-2-methyl-
  • Quinaldine, 7-chloro-
  • 7-Chloro-2-methylquinoline

Work with 7-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

2,7-Dimethylquinoline93-37-862 % similar 7-Fluoro-2-methylquinoline1128-74-156 % similar Quinaldine91-63-453 % similar 2,6-Dimethylquinoline877-43-050 % similar 7-Chloroquinoline612-61-348 % similar 6-Fluoro-2-methylquinoline1128-61-646 % similar 6-Amino-2-methylquinoline65079-19-846 % similar 6-Bromo-2-methylquinoline877-42-946 % similar

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

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-4-methylquinoline634-47-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook