3-Bromo-1H-pyrazolo[3,4-b]pyridine - CAS 68618-36-0
Catalog: |
BB033595 |
Product Name: |
3-Bromo-1H-pyrazolo[3,4-b]pyridine |
CAS: |
68618-36-0 |
Synonyms: |
3-bromo-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 3-bromo-2H-pyrazolo[3,4-b]pyridine |
Description: | 3-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS# 68618-36-0) is a useful research chemical. |
Molecular Weight: | 198.02 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=CC2=C(NN=C2N=C1)Br |
InChI: | InChI=1S/C6H4BrN3/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,8,9,10) |
InChI Key: | ZGHQNXGPKYUHJW-UHFFFAOYSA-N |
Boiling Point: | 356.229 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.895 g/cm3 |
MDL: | MFCD08669476 |
LogP: | 1.72040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P322, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032588-A1 | Macrocyclic sulfonylamide derivatives useful as nlrp3 inhibitors | 20190816 |
WO-2019023468-A1 | TYK2 INHIBITORS AND USES THEREOF | 20170728 |
US-2020172521-A1 | Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof | 20170519 |
US-10961238-B2 | Modulators of hedgehog (Hh) signaling pathway | 20161026 |
CA-3030795-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20160713 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Pyridines
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