200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1364663-38-6
1364663-38-6 | 1H-Pyrrolo[3,2-b]pyridine-1-carboxylic acid, 5-cyano-, 1,1-dimethylethyl ester
CAS No: 1364663-38-6 Catalog No: AG0011VB MDL No:MFCD21648255
Product Description
Catalog Number:
AG0011VB
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-1-carboxylic acid, 5-cyano-, 1,1-dimethylethyl ester
CAS Number:
1364663-38-6
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD21648255
IUPAC Name:
tert-butyl 5-cyanopyrrolo[3,2-b]pyridine-1-carboxylate
InChI:
InChI=1S/C13H13N3O2/c1-13(2,3)18-12(17)16-7-6-10-11(16)5-4-9(8-14)15-10/h4-7H,1-3H3
InChI Key:
VZWMSWICLZNLGA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)ccn2C(=O)OC(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.