Name: Name:1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1,3-dimethyl ester
Brand: Angene
SKU: AG000PP2
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1,3-dimethyl ester

CAS No.:

1198106-53-4

Catalog Number:

AG000PP2

Molecular Formula:

C12H12N2O4

Molecular Weight:

248.2347

Catalog Number:

AG000PP2

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1,3-dimethyl ester

CAS Number:

1198106-53-4

Molecular Formula:

C12H12N2O4

Molecular Weight:

248.2347

IUPAC Name:

dimethyl 5-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxylate

InChI:

InChI=1S/C12H12N2O4/c1-7-4-8-9(11(15)17-2)6-14(12(16)18-3)10(8)13-5-7/h4-6H,1-3H3

InChI Key:

FIFRDIXJBJVLRI-UHFFFAOYSA-N

SMILES:

COC(=O)c1cn(c2c1cc(C)cn2)C(=O)OC

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.238g/mol

Monoisotopic Mass:

248.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8