2-(1H-Pyrazol-3-Yl)Pyridine

HCID 2797657

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Basic information

CAS: 192711-21-0
Standard SMILES: c1ccc(-c2ccn[nH]2)nc1
InChIKey: HKEWOTUTAYJWQJ-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.165 g/mol
Monoisotopic mass: 145.06399722

Names & identifiers

Preferred name: 2-(1H-Pyrazol-3-Yl)Pyridine
IUPAC: 2-(1H-Pyrazol-5-yl)pyridine
English name: 2-(1H-PYRAZOL-3-YL)PYRIDINE
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

2-(1H-pyrazol-5-yl)pyridineDK7402BUTTPARK 17\04-922-(2H-pyrazol-3-y3-(2-Pyridyl)pyrazol3-(2-Pyridyl)pyrazole2-(3-Pyrazolyl)pyridine3-(Pyridin-2-yl)pyrazole2-(PYRAZOL-3-YL)-PYRIDINE3-(Pyridin-2-yl)-1H-pyrazol

Database identifiers

CAS: 192711-21-0、75415-03-1
PubChem CID: 2797657
DTXSID: DTXSID30383939
ChEMBL: CHEMBL4130164
EC Number: 664-165-6
Nikkaji: J1.801.382G、J896.290A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 119 · 119-120°C
Boiling point: 362.2 · 362.2±17.0 °C(Predicted)
Density: 1.214 · 1.214±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 11.36 · 11.36±0.10(Predicted)
color: White to Light yellow
λmax: 303 nm · 303nm(CH3CN aq.)(lit.)
InChI: InChI=1S/C8H7N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H,(H,10,11)
InChIKey: HKEWOTUTAYJWQJ-UHFFFAOYSA-N
SMILES: C1(C2C=CNN=2)=NC=CC=C1
CAS DataBase Reference: 75415 · 75415-03-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

Safety data

hs_code: 2933199090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-(1H-pyrazol-3-yl)pyridine is an organic intermediate that can be used to prepare a pyrazolidine alcohol-copper complex. This complex is a mononuclear Cu complex and exhibits antitumor activity.