Name: Name:1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
Brand: Angene
SKU: AG01EIFJ
Rating: 90 (10 reviews)

1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

CAS No.:

71290-73-8

Catalog Number:

AG01EIFJ

Molecular Formula:

C9H8F3N3O

Molecular Weight:

231.1745

Catalog Number:

AG01EIFJ

Chemical Name:

1,6-dimethyl-4-(trifluoromethyl)-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one

CAS Number:

71290-73-8

Molecular Formula:

C9H8F3N3O

Molecular Weight:

231.1745

MDL Number:

MFCD16817470

IUPAC Name:

1,6-dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-one

InChI:

InChI=1S/C9H8F3N3O/c1-4-3-5(9(10,11)12)6-7(13-4)15(2)14-8(6)16/h3H,1-2H3,(H,14,16)

InChI Key:

GDGCMFRYDYGXGA-UHFFFAOYSA-N

SMILES:

Cc1cc(c2c(n1)n(C)[nH]c2=O)C(F)(F)F

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.178g/mol

Monoisotopic Mass:

231.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8