| CAS Number | 1000340-40-8 |
| Catalog Number | AG0000DU(AGN-PC-0WD7MH) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-nitro- |
| IUPAC Name | 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10) |
| InChI Key | XLVXZIOZDIALSM-UHFFFAOYSA-N |
| MDL Number | MFCD09880134 |
| Molecular Formula | C7H4IN3O2 |
| Molecular Weight | 289.0300 |
| SMILES | IC1=CNC2=NC=CC(=C21)[N+](=O)[O-] |
| Synonyms | 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine,
1000340-40-8,
3-Iodo-4-nitro-7-azaindole,
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-nitro-,
SCHEMBL14158703,
DTXSID90646890,
XLVXZIOZDIALSM-UHFFFAOYSA-N,
MFCD09880134,
ZINC16678076,
AKOS025149572,
SB14386,
AS-53069,
CS-0051309,
FT-0715328,
W-1023,
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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 | 288.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.032g/mol |
| Monoisotopic Mass | 288.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number