| CAS Number | 192711-20-9 |
| Catalog Number | AG002G92(AGN-PC-0O6ABQ) |
| Chemical Name | Pyridine, 2-(4-nitro-1H-pyrazol-3-yl)- |
| IUPAC Name | 2-(4-nitro-1H-pyrazol-5-yl)pyridine |
| InChI | InChI=1S/C8H6N4O2/c13-12(14)7-5-10-11-8(7)6-3-1-2-4-9-6/h1-5H,(H,10,11) |
| InChI Key | YRKGZAPVVJYLGV-UHFFFAOYSA-N |
| MDL Number | MFCD14657952 |
| Molecular Formula | C8H6N4O2 |
| Molecular Weight | 190.1588 |
| SMILES | O=[N+](C1=CNN=C1C2=NC=CC=C2)[O-] |
| Synonyms | 2-(4-Nitro-1H-pyrazol-3-yl)pyridine,
192711-20-9,
2-(4-nitro-1H-pyrazol-5-yl)pyridine,
Pyridine, 2-(4-nitro-1H-pyrazol-3-yl)-,
SCHEMBL3584585,
CTK0A1651,
DTXSID90595713,
YRKGZAPVVJYLGV-UHFFFAOYSA-N,
KS-000008MM,
MFCD14657952,
ZINC42415188,
4-Nitro-5-(2-pyridyl)-1H-pyrazole,
AKOS010654384,
GS-5754,
SB22790,
2-(4-nitro-1H-pyrazol-3-yl)-pyridine,
CS-0052269,
Z2526439830,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.162g/mol |
| Monoisotopic Mass | 190.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number