| CAS Number | 1368101-33-0 |
| Catalog Number | AG0012DV(AGN-PC-0WBSP3) |
| Chemical Name | 6-Methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| IUPAC Name | 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H8N2O2/c1-5-2-3-6-4-7(9(12)13)11-8(6)10-5/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | YIUGSBDKPPYNNE-UHFFFAOYSA-N |
| MDL Number | MFCD20259327 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | CC1=CC=C2C(=N1)NC(=C2)C(=O)O |
| Synonyms | 6-Methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid,
1368101-33-0,
6-Methyl-7-azaindole-2-carboxylic acid,
DTXSID30856875,
KS-000005SS,
MFCD20259327,
ZINC82398892,
AKOS022173958,
FCH1602372,
SB14338,
AK138357,
AS-51460,
AJ-125279,
AX8259960,
CS-0050169,
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-methyl-,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number