5-nitro-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
Basic information
- CAS
1186609-73-3- Standard SMILES
O=c1[nH][nH]c2ncc([N+](=O)[O-])cc12- InChIKey
RNBOURUUSIHRIZ-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.02834
Names & identifiers
- Preferred name
- 5-nitro-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
- IUPAC
- 5-nitro-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
Names & synonyms
5-nitro-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one1186609-73-35-nitro-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-oneRefChem:537375871-405-55-Nitro-1H-pyrazolo[3,4-b]pyridin-3(2H)-one5-nitro-1,2-dihydropyrazolo[3,4-b]pyridin-3-oneSCHEMBL1593872RNBOURUUSIHRIZ-UHFFFAOYSA-NLXB60973AKOS0231664915-nitro-1H-pyrazolo[3,4-b]pyridin-3-ol
Show more names
DB-201287CS-0261501EN300-78759G439081,2-Dihydro-5-nitro-3h-pyrazolo[3,4-b]pyridin-3-oneZ1209388597
Database identifiers
- CAS
1186609-73-3- PubChem CID
- 54593705
- EC Number
- 871-405-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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