871307-18-5

Name 4-[(3-Chloro-4-fluorophenyl)amino]-6-[(3-pyridinylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
CAS 871307-18-5
Molecular Formula C21H14ClFN6
Molecular Weight 404.83
MOL File 871307-18-5.mol

Chemical Properties

Boiling point  616.3±55.0 °C(Predicted)
density  1.45
storage temp.  Sealed in dry,2-8°C
solubility  DMF: 1 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 1 mg/ml
form  A crystalline solid
pka 4.80±0.10(Predicted)
color  Yellow to green
InChI 1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
InChIKey NMEUKWOOQOHUNA-UHFFFAOYSA-N
SMILES Fc1c(cc(cc1)Nc2c3c(ncc2C#N)cnc(c3)NCc4cnccc4)Cl

Safety Data

WGK Germany  WGK 2
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

Hazard Information

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