Name: Name:1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-
Brand: Angene
SKU: AG00BF0N
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-

CAS No.:

269726-50-3

Catalog Number:

AG00BF0N

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

Catalog Number:

AG00BF0N

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-

CAS Number:

269726-50-3

Molecular Formula:

C12H13N3

Molecular Weight:

199.2517

MDL Number:

MFCD15529068

IUPAC Name:

1-tert-butylpyrrolo[2,3-b]pyridine-3-carbonitrile

InChI:

InChI=1S/C12H13N3/c1-12(2,3)15-8-9(7-13)10-5-4-6-14-11(10)15/h4-6,8H,1-3H3

InChI Key:

XNYXASRSZHETNP-UHFFFAOYSA-N

SMILES:

N#Cc1cn(c2c1cccn2)C(C)(C)C

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.257g/mol

Monoisotopic Mass:

199.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9