2-Bromo-4-methyl-5-nitropyridine

HCID 345873CAS 23056-47-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Br)ncc1[N+](=O)[O-]
InChIKey: OSYUAHGEDKTDOX-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O2
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.9534395

Names & identifiers

Preferred name: 2-Bromo-4-methyl-5-nitropyridine
IUPAC: 2-bromo-4-methyl-5-nitropyridine
English name: 2-Bromo-5-nitro-4-picoline
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

2-Bromo-4-methyl-5-nitropyridine23056-47-5DTXSID00323367RefChem:85735DTXCID40274485674-939-52-bromo-5-nitro-4-picolinePYRIDINE, 2-BROMO-4-METHYL-5-NITRO-2-bromo-4-methyl-5-nitro-pyridineMFCD030950662-Bromo-4-Methyl-5-Nitro pyridine6-bromo-3-nitro-4-picoline

Show more names

5-broMo-4-Methyl-2-nitropyridine2-bromo-4-methyl-5-broMo-4-Methyl-2-nitropy2-BroMo-5-nitro-4-picolin...2-BroMo-4-Methyl-5-nitropyridin2-BROMO-5-NITRO-4-METHYL PYRIDINE

SCHEMBL2107234NSC 403724bromo-4-methyNSC4037242-bromanyl-4-methyl-5-nitro-pyridineAM20050974FT-0638288A816534

Database identifiers

CAS: 23056-47-5
PubChem CID: 345873
DTXSID: DTXSID00323367
EC Number: 674-939-5

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 64 · 64-66°C
Boiling point: 294.2 · 294.2±35.0 °C(Predicted)
Density: 1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -2.59 · -2.59±0.18(Predicted)
color: White to Yellow to Green
CAS DataBase Reference: 23056 · 23056-47-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2-Bromo-4-methyl-5-nitropyridine acts as a reagent for the synthetic preparation of azaindole hydroxamic acid as potent HIV-1 integrase inhibitors, discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.