1,3-Dimethyl-4-methoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
Basic information
- CAS
439109-76-9- Standard SMILES
COc1c(C(=O)O)cnc2c1c(C)nn2C- InChIKey
FGSLAFUKFLYMRQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.08004122
Names & identifiers
- Preferred name
- 1,3-Dimethyl-4-methoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
- IUPAC
- 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
- English name
- 1,3-DIMETHYL-4-METHOXYPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID
- Molecular formula
- C10H11N3O3
- Molecular weight
- 221.21
Names & synonyms
439109-76-94-methoxy-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid1,3-Dimethyl-4-methoxypyrazolo[3,4-b]pyridine-5-carboxylic acid4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid1,3-dimethyl-4-methoxy-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acidMFCD00206670Oprea1_107661SCHEMBL5717561SBB0961231,3-Dimethyl-4-methoxypyrazolo-[3,4-b]pyridine-5-carboxylic acid4-methoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylic acidBUTTPARK 30\08-36
Show more names
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-methoxy-1,3-dimethyl-
Database identifiers
- CAS
439109-76-9- PubChem CID
- 2736267
- EC Number
- 108-277-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 396.5 · 396.5±37.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Safety data
- hs_code
- 2933998090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Suppliers
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Related reactions
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Compound notes
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