Basic information
- CAS
19959-72-9- Standard SMILES
Cc1cc(-c2cccnc2)n[nH]1- InChIKey
CGQOLRWLPQPKLV-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- 3-(5-Methyl-1H-pyrazol-3-yl)pyridine
- IUPAC
- 3-(5-methyl-1H-pyrazol-3-yl)pyridine
- English name
- 3-(5-Methyl-2H-pyrazol-3-yl)-pyridine
- Molecular formula
- C9H9N3
- Molecular weight
- 159.19
Names & synonyms
19959-72-93-(5-Methyl-1H-pyrazol-3-yl)pyridineRefChem:2749593-(3-methyl-1H-pyrazol-5-yl)pyridineMFCD014363323-(5-Methyl-2H-pyrazol-3-yl)-pyridineCHEMBL5189272SCHEMBL1435903SCHEMBL1436058SCHEMBL1436192SCHEMBL2318425CGQOLRWLPQPKLV-UHFFFAOYSA-N
Show more names
Pyridine, 3-(5-methyl-1H-pyrazol-3-yl)-
DTXSID701290512BDBM50594758AKOS04069514179476-45-2BS-46319DB-338919E75276F547825
Database identifiers
- CAS
19959-72-9- PubChem CID
- 12707229
- DTXSID
DTXSID701290512- ChEMBL
CHEMBL5189272- Nikkaji
- J1.341.954J、J3.024.013H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 138 · 138-140 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 364.6 · 364.6±27.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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