| CAS Number | 1094709-34-8 |
| Catalog Number | AG00HBID(AGN-PC-0WAHPQ) |
| Chemical Name | (e)-1-Methyl-3-(2-nitrovinyl)-1h-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 1-methyl-3-[(E)-2-nitroethenyl]pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C10H9N3O2/c1-12-7-8(4-6-13(14)15)9-3-2-5-11-10(9)12/h2-7H,1H3/b6-4+ |
| InChI Key | RWKAGLUOUCGJHA-GQCTYLIASA-N |
| MDL Number | MFCD22121412 |
| Molecular Formula | C10H9N3O2 |
| Molecular Weight | 203.1974 |
| SMILES | CN1C2=C(C=CC=N2)C(C=C[N+]([O-])=O)=C1 |
| Synonyms | (e)-1-methyl-3-(2-nitrovinyl)-1h-pyrrolo[2,3-b]pyridine,
1094709-34-8,
1-methyl-3-[(E)-2-nitroethenyl]pyrrolo[2,3-b]pyridine,
SCHEMBL967340,
RWKAGLUOUCGJHA-GQCTYLIASA-N,
ZX-RL003976,
MFCD22121412,
ZINC75824247,
AKOS023091067,
AK161052,
OR301279,
AJ-121947,
AX8294036,
CS-0061741,
ST24035019,
1-Methyl-3-[(E)-2-nitrovinyl]-1H-pyrrolo[2,3-b]pyridine,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 203.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.201g/mol |
| Monoisotopic Mass | 203.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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