3-Bromo-5-(pyrrolidin-2-yl)pyridine

HCID 4403815CAS 71719-06-7

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Basic information

Standard SMILES: Brc1cncc(C2CCCN2)c1
InChIKey: APOQHGHGEPQGOO-UHFFFAOYSA-N
Molecular formula: C9H11BrN2
Average molar mass: 227.1 g/mol
Monoisotopic mass: 226.01056045

Names & identifiers

Preferred name: 3-Bromo-5-(pyrrolidin-2-yl)pyridine
IUPAC: 3-bromo-5-pyrrolidin-2-ylpyridine
English name: 3-Bromo-5-(2-pyrrolidinyl)pyridine
Molecular formula: C9H11BrN2
Molecular weight: 227.1

Names & synonyms

3-bromo-5-(pyrrolidin-2-yl)pyridineRefChem:498825837-551-93-Bromo-5-(2-Pyrrolidinyl)Pyridine71719-06-73-bromo-5-pyrrolidin-2-yl-pyridine(RS)-3-Bromo Nornicotine3-bromo-5-pyrrolidin-2-ylpyridineMFCD026635325-Bromo-3-(2-pyrrolidinyl)pyridine(R,S)-3-Bromo NornicotinePyridine, 3-bromo-5-(2-pyrrolidinyl)-

Show more names

(S)-3-bromo-5-(pyrrolidin-2-yl)pyridine hydrochloride

SCHEMBL3331225CHEMBL4587112DTXSID60402900APOQHGHGEPQGOO-UHFFFAOYSA-NCL3505STK893451AKOS001476333SB38430

Database identifiers

CAS: 71719-06-7
PubChem CID: 4403815
DTXSID: DTXSID60402900
ChEMBL: CHEMBL4587112
EC Number: 837-551-9
Nikkaji: J738.049F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 295.4 · 295.4±40.0 °C(Predicted)
Density: 1.434 · 1.434±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 8.56 · 8.56±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Risk Statements: 36 · 36
Safety Statements: 26 · 26

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.