Name: Name:tert-Butyl 5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate
Brand: Angene
SKU: AG006RKC
Rating: 90 (10 reviews)

tert-Butyl 5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

CAS No.:

916258-24-7

Catalog Number:

AG006RKC

Molecular Formula:

C12H14BrN3O2

Molecular Weight:

312.1625

Catalog Number:

AG006RKC

Chemical Name:

tert-Butyl 5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

CAS Number:

916258-24-7

Molecular Formula:

C12H14BrN3O2

Molecular Weight:

312.1625

MDL Number:

MFCD13183735

IUPAC Name:

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

InChI:

InChI=1S/C12H14BrN3O2/c1-7-9-5-8(13)6-14-10(9)16(15-7)11(17)18-12(2,3)4/h5-6H,1-4H3

InChI Key:

ZVHYMSMKXHSFLB-UHFFFAOYSA-N

SMILES:

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

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.167g/mol

Monoisotopic Mass:

311.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2