2-Bromo-6-(1H-pyrazol-1-yl)pyridine

HCID 7060529CAS 123640-41-5

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1cccc(-n2cccn2)n1
InChIKey: LPRJOZJWALGJGM-UHFFFAOYSA-N
Molecular formula: C8H6BrN3
Average molar mass: 224.06 g/mol
Monoisotopic mass: 222.97451

Names & identifiers

Preferred name: 2-Bromo-6-(1H-pyrazol-1-yl)pyridine
IUPAC: 2-bromo-6-pyrazol-1-ylpyridine
English name: 2-BROMO-6-(1H-PYRAZOL-1-YL)PYRIDINE
Molecular formula: C8H6BrN3
Molecular weight: 224.06

Names & synonyms

2-Bromo-6-(1H-pyrazol-1-yl)pyridine123640-41-5MFCD073685352-bromo-6-pyrazol-1-ylpyridinePyridine, 2-bromo-6-(1H-pyrazol-1-yl)-2-BROMO-6-PYRAZOL-1-YL-PYRIDINESCHEMBL4289(6-bromo-2-pyridyl)pyrazoleSCHEMBL30261053DTXSID20427614LPRJOZJWALGJGM-UHFFFAOYSA-NSBB096599

Show more names

2-bromo-6-(1-pyrazolyl)pyridine2-bromo-6 -(1H-pyrazole-1-yl) pyridine2-Bromo-6-(1H-pyrazol-1-yl)pyridine ,97%

AKOS013153652AB32041AS-62497SY064589DB-364855CS-0206300D88091F211195

Database identifiers

CAS: 123640-41-5
PubChem CID: 7060529
DTXSID: DTXSID20427614
Nikkaji: J2.186.682B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 66 · 66-68
Boiling point: 330.7 · 330.7±27.0 °C(Predicted)
Density: 1.63 · 1.63±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -0.7 · -0.70±0.19(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-26-36/37/39
RIDADR: 2811 · 2811
Hazard Note: Harmful
HS Code: 29333990 · 29333990

Safety & regulation

Safety data

ridadr: 2811
hs_code: 29333990
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_note: Harmful
safety_code: 22-26-36/37/39
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501