Name: Name:1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG00GV4W
Rating: 90 (10 reviews)

1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester

CAS No.:

916326-31-3

Catalog Number:

AG00GV4W

Molecular Formula:

C11H11BrIN3O2

Molecular Weight:

424.0324

Catalog Number:

AG00GV4W

Chemical Name:

1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester

CAS Number:

916326-31-3

Molecular Formula:

C11H11BrIN3O2

Molecular Weight:

424.0324

MDL Number:

MFCD13183733

IUPAC Name:

tert-butyl 5-bromo-3-iodopyrazolo[3,4-b]pyridine-1-carboxylate

InChI:

InChI=1S/C11H11BrIN3O2/c1-11(2,3)18-10(17)16-9-7(8(13)15-16)4-6(12)5-14-9/h4-5H,1-3H3

InChI Key:

NXIOVBJEZOJTPW-UHFFFAOYSA-N

SMILES:

Brc1cnc2c(c1)c(I)nn2C(=O)OC(C)(C)C

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

422.908g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

424.036g/mol

Monoisotopic Mass:

422.908g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5