3-Iodo-1-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine - CAS 1398534-56-9
Catalog: |
BB008989 |
Product Name: |
3-Iodo-1-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1398534-56-9 |
Synonyms: |
3-iodo-1-methyl-4-nitropyrrolo[2,3-b]pyridine; 3-iodo-1-methyl-4-nitropyrrolo[2,3-b]pyridine |
IUPAC Name: | 3-iodo-1-methyl-4-nitropyrrolo[2,3-b]pyridine |
Description: | 3-Iodo-1-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine (CAS# 1398534-56-9 ) is a useful research chemical. |
Molecular Weight: | 303.06 |
Molecular Formula: | C8H6IN3O2 |
Canonical SMILES: | CN1C=C(C2=C(C=CN=C21)[N+](=O)[O-])I |
InChI: | InChI=1S/C8H6IN3O2/c1-11-4-5(9)7-6(12(13)14)2-3-10-8(7)11/h2-4H,1H3 |
InChI Key: | IBSQIBJAAZAPON-UHFFFAOYSA-N |
LogP: | 2.60930 |
Publication Number | Title | Priority Date |
EP-2717694-A1 | Novel compounds | 20110610 |
JP-2014516084-A | New compounds | 20110610 |
US-2014155375-A1 | Novel compounds | 20110610 |
US-8877742-B2 | Compounds | 20110610 |
WO-2012170752-A1 | Novel compounds | 20110610 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.95047 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.95047 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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