| CAS Number | 1135437-92-1 |
| Catalog Number | AG00HCQE(AGN-PC-0WNGG8) |
| Chemical Name | 1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 1-methyl-5-nitropyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H7N3O2/c1-10-3-2-6-4-7(11(12)13)5-9-8(6)10/h2-5H,1H3 |
| InChI Key | OIMUASCYJUQGSD-UHFFFAOYSA-N |
| MDL Number | MFCD19690176 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | CN1C=CC=2C1=NC=C(C2)[N+](=O)[O-] |
| Synonyms | 1-Methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine,
1135437-92-1,
1H-Pyrrolo[2,3-b]pyridine, 1-methyl-5-nitro-,
1-methyl-5-nitro-7-azaindole,
SCHEMBL3481893,
KS-00000TUU,
OIMUASCYJUQGSD-UHFFFAOYSA-N,
AKOS030524094,
ZINC149931914,
1-methyl-5-nitropyrrolo[2,3-b]pyridine,
AK548245,
DS-19433,
CS-0061751,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.053826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.16g/mol |
| Monoisotopic Mass | 177.053826g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 63.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number