3-bromo-[1,2,4]triazolo[4,3-a]pyridine - CAS 4922-68-3
Catalog: |
BB026662 |
Product Name: |
3-bromo-[1,2,4]triazolo[4,3-a]pyridine |
CAS: |
4922-68-3 |
Synonyms: |
3-bromo-[1,2,4]triazolo[4,3-a]pyridine; 3-bromo-[1,2,4]triazolo[4,3-a]pyridine |
IUPAC Name: | 3-bromo-[1,2,4]triazolo[4,3-a]pyridine |
Description: | 3-bromo-[1,2,4]triazolo[4,3-a]pyridine (CAS# 4922-68-3) is an intermediate used to prepare bi-aryl amines as mGluR5 modulators for treating gastrointestinal, urinary tract, and nervous system disorders. |
Molecular Weight: | 198.023 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=CC2=NN=C(N2C=C1)Br |
InChI: | InChI=1S/C6H4BrN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H |
InChI Key: | BOKHADJFZUWNSH-UHFFFAOYSA-N |
MDL: | MFCD11111699 |
LogP: | 1.49180 |
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, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021087190-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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