98534-86-2
1-(PYRIDIN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name1-(PYRIDIN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
1-(PYRIDIN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09734489
【English Synonyms】
【Formula】
C10 H6 F3 N3 O2
【MolWeight】
257.17
【Inchi】
InChI=1S/C10H6F3N3O2/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7/h1-5H,(H,17,18)
【InChIKey】
InChIKey=ZQXVRORVHVWEMM-UHFFFAOYSA-N
【SMILES】
c1ccnc(c1)n2c(c(cn2)C(=O)O)C(F)(F)F
【MOL File】
1-(PYRIDIN-2-YL)-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(PYRIDIN-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml