874817-85-3
2-(PYRIDIN-4-YL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name2-(PYRIDIN-4-YL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
2-(PYRIDIN-4-YL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06409007
【English Synonyms】
【Formula】
C11 H6 F3 N3 O2
【MolWeight】
269.181
【Inchi】
InChI=1S/C11H6F3N3O2/c12-11(13,14)8-7(10(18)19)5-16-9(17-8)6-1-3-15-4-2-6/h1-5H,(H,18,19)
【InChIKey】
InChIKey=YTWWVJYUCJTRJP-UHFFFAOYSA-N
【SMILES】
c1cnccc1c2ncc(c(n2)C(F)(F)F)C(=O)O
【MOL File】
2-(PYRIDIN-4-YL)-4-(….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
2-(PYRIDIN-4-YL)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml