Name: Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-, methyl ester
Brand: Angene
SKU: AG001D59
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-, methyl ester

CAS No.:

1455358-36-7

Catalog Number:

AG001D59

Molecular Formula:

C13H16N2O3

Molecular Weight:

248.2777

Catalog Number:

AG001D59

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-, methyl ester

CAS Number:

1455358-36-7

Molecular Formula:

C13H16N2O3

Molecular Weight:

248.2777

MDL Number:

MFCD27987780

IUPAC Name:

methyl 1-tert-butyl-2-oxo-3H-pyrrolo[2,3-b]pyridine-3-carboxylate

InChI:

InChI=1S/C13H16N2O3/c1-13(2,3)15-10-8(6-5-7-14-10)9(11(15)16)12(17)18-4/h5-7,9H,1-4H3

InChI Key:

BPGQKZWERCISMJ-UHFFFAOYSA-N

SMILES:

COC(=O)C1c2cccnc2N(C1=O)C(C)(C)C

Complexity:

362

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.282g/mol

Monoisotopic Mass:

248.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3