5-Ethynyl-1H-pyrazolo[4,3-b]pyridine
Basic information
- CAS
1374652-56-8- Standard SMILES
C#Cc1ccc2[nH]ncc2n1- InChIKey
WDMUELCRMSDBAV-UHFFFAOYSA-N- Molecular formula
- C8H5N3
- Average molar mass
- 143.15 g/mol
- Monoisotopic mass
- 143.04834717
Names & identifiers
- Preferred name
- 5-Ethynyl-1H-pyrazolo[4,3-b]pyridine
- IUPAC
- 5-ethynyl-1H-pyrazolo[4,5-b]pyridine
- English name
- 3-b]pyridine
- Molecular formula
- C8H5N3
- Molecular weight
- 143.15
Names & synonyms
5-Ethynyl-1H-pyrazolo[4,3-b]pyridine1374652-56-8MFCD223805125-Ethynyl-2H-pyrazolo[4,3-b]pyridine1H-Pyrazolo[4,3-b]pyridine, 5-ethynyl-5-ethynyl-1H-pyrazolo[4SCHEMBL18297433DTXSID201285035AKOS027251632PS-11785SY072452DB-368705
Show more names
CS-0318560F722464(1H-Pyrazolo[4,3-b]pyridin-5-yl)acetylene, 5-Ethynyl-4-azaindazole
Database identifiers
- CAS
1374652-56-8- PubChem CID
- 75412017
- DTXSID
DTXSID201285035
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 335.7 · 335.7±22.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 10.26 · 10.26±0.40(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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