5-Bromo-1H-pyrazolo[3,4-b]pyridine - CAS 875781-17-2
Catalog: |
BB038530 |
Product Name: |
5-Bromo-1H-pyrazolo[3,4-b]pyridine |
CAS: |
875781-17-2 |
Synonyms: |
5-bromo-1H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 5-bromo-1H-pyrazolo[3,4-b]pyridine |
Description: | 5-Bromo-1H-pyrazolo[3,4-b]pyridine (CAS# 875781-17-2) is a pyridine (P998910) derivative and useful building block, seen in its use in the synthetic preparation of 7-azaindazole chalcone derivatives as analgesics and anti-inflammatories. |
Molecular Weight: | 198.02 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=C2C=NNC2=NC=C1Br |
InChI: | InChI=1S/C6H4BrN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10) |
InChI Key: | BASYLPMLKGQZOG-UHFFFAOYSA-N |
Boiling Point: | 329 ℃ at 760 mmHg |
Purity: | 97 % |
Density: | 1.894 g/cm3 |
MDL: | MFCD05663982 |
LogP: | 1.72040 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021018820-A1 | Heteroaryl-substituted pyrazolo-pyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20190729 |
WO-2020111263-A1 | Heterocyclic compounds for the treatment of epilepsy | 20181130 |
WO-2020113233-A1 | Irak degraders and uses thereof | 20181130 |
TW-202039446-A | Heterocyclic compound | 20181130 |
CN-113166076-A | Heterocyclic compounds for the treatment of epilepsy | 20181130 |
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: | 1.5 |
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