3-(2-Pyridinyl)-1H-pyrazole-5-carboxylic acid
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Basic information
- CAS
374064-02-5- Standard SMILES
O=C(O)c1cc(-c2ccccn2)n[nH]1- InChIKey
SJBWHTBPIJXUFP-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382646
Names & identifiers
- Preferred name
- 3-(2-Pyridinyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
- English name
- 5-Pyridin-2-yl-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
3-(2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLIC ACIDRefChem:491314664-145-7374064-02-55-Pyridin-2-yl-1H-pyrazole-3-carboxylic acid5-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acidMFCD05170030MFCD062453411106669-60-6CHEMBL1234945
Show more names
CAS:374064-02-55-PYRIDIN-2-YL-4H-PYRAZOLE-3-CARBOXYLIC ACID5-(2-Pyridinyl)-1H-pyrazole-3-carboxylic acid5-(2-pyridinyl)-4H-pyrazole-3-carboxylic acid
5-Pyridin-2-yl-1H-pyrazole-3-carboxylicacid5-(2-PYRIDYL)-3-PYRAZOLECARBOXYLIC ACID3-(2-pyridyl)pyrazole-5-carboxylic acid1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-(2-PYRIDINYL)-MLS000039592AKOS PAO-0369SCHEMBL1528412SCHEMBL1813677
Database identifiers
- CAS
374064-02-5- PubChem CID
- 665156
- DTXSID
DTXSID70349832- ChEMBL
CHEMBL1234945- EC Number
- 664-145-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 525.8 · 525.8±40.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.27 · 3.27±0.10(Predicted)
- form
- solid
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36-22
- Safety Statements
- 26 · 26
- HS Code
- 2933199090 · 2933199090
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- hs_code
- 2933199090
- risk_code
- 36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Related reactions
3 records
Compound notes
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