| CAS Number | 1311569-08-0 |
| Catalog Number | AG000VMI(AGN-PC-0WCYLU) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-2,6-dicarboxylic acid, 2,6-diethyl ester |
| IUPAC Name | diethyl 1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate |
| InChI | InChI=1S/C13H14N2O4/c1-3-18-12(16)9-6-5-8-7-10(13(17)19-4-2)15-11(8)14-9/h5-7H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | FYIUVILNUXZUPQ-UHFFFAOYSA-N |
| MDL Number | MFCD20921650 |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.2613 |
| SMILES | CCOC(=O)C1=CC2=CC=C(N=C2N1)C(=O)OCC |
| Synonyms | DIETHYL 1H-PYRROLO[2,3-B]PYRIDINE-2,6-DICARBOXYLATE,
1311569-08-0,
SCHEMBL1981860,
FYIUVILNUXZUPQ-UHFFFAOYSA-N,
MFCD20921650,
ZINC91690694,
AS-36140,
AX8266613,
FT-0701351,
X-3324,
1H-Pyrrolo[2,3-b]pyridine-2,6-dicarboxylic acid, 2,6-diethyl ester,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.265g/mol |
| Monoisotopic Mass | 262.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number