3-Nitro-7-azaindole - CAS 23709-47-9
Catalog: |
BB018163 |
Product Name: |
3-Nitro-7-azaindole |
CAS: |
23709-47-9 |
Synonyms: |
3-nitro-1H-pyrrolo[2,3-b]pyridine |
IUPAC Name: | 3-nitro-1H-pyrrolo[2,3-b]pyridine |
Description: | 3-Nitro-7-azaindole (CAS# 23709-47-9) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC2=C(NC=C2[N+](=O)[O-])N=C1 |
InChI: | InChI=1S/C7H5N3O2/c11-10(12)6-4-9-7-5(6)2-1-3-8-7/h1-4H,(H,8,9) |
InChI Key: | DTLVPICXPRRMOQ-UHFFFAOYSA-N |
Boiling Point: | 386.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.525 g/cm3 |
MDL: | MFCD08272225 |
LogP: | 1.99430 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2934145-A1 | Histone demethylase inhibitors | 20121219 |
EP-2934145-B1 | Histone demethylase inhibitors | 20121219 |
ES-2658597-T3 | Histone demethylase inhibitors | 20121219 |
JP-2016503799-A | Histone demethylase inhibitor | 20121219 |
JP-6256772-B2 | Histone demethylase inhibitor | 20121219 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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