Name: Name:1-tert-butyl-6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Brand: Angene
SKU: AG01ELCL
Rating: 90 (10 reviews)

1-tert-butyl-6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:

1181393-89-4

Catalog Number:

AG01ELCL

Molecular Formula:

C12H14ClN3O2

Molecular Weight:

267.7115

Catalog Number:

AG01ELCL

Chemical Name:

1-tert-butyl-6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS Number:

1181393-89-4

Molecular Formula:

C12H14ClN3O2

Molecular Weight:

267.7115

MDL Number:

MFCD11890473

IUPAC Name:

1-tert-butyl-6-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

InChI:

InChI=1S/C12H14ClN3O2/c1-6-7-5-8(11(17)18)9(13)14-10(7)16(15-6)12(2,3)4/h5H,1-4H3,(H,17,18)

InChI Key:

LQMDNXGCAQSVGA-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(C)nn(c2nc1Cl)C(C)(C)C

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.713g/mol

Monoisotopic Mass:

267.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6