5-Bromo-2-methylpyridin-3-amine

HCID 21964096

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Basic information

CAS: 914358-73-9
Standard SMILES: Cc1ncc(Br)cc1N
InChIKey: CBAXYISWNGGXOZ-UHFFFAOYSA-N
Molecular formula: C6H7BrN2
Average molar mass: 187.04 g/mol
Monoisotopic mass: 185.97926032

Names & identifiers

Preferred name: 5-Bromo-2-methylpyridin-3-amine
IUPAC: 5-bromo-2-methylpyridin-3-amine
English name: 5-Bromo-2-methylpyridin-3-amine
Molecular formula: C6H7BrN2
Molecular weight: 187.04

Names & synonyms

5-bromo-2-methylpyridin-3-amine914358-73-95-BROMO-2-METHYL-3-PYRIDINAMINEDTXSID60620889RefChem:533353DTXCID40571643988-145-43-Amino-5-bromo-2-methylpyridineMFCD090314185-BROMO-2-METHYL-PYRIDIN-3-YLAMINE5-bromo-2-methyl-pyridin-3-amine3-Amino-5-bromopicoline

Show more names

3-Amino-5-bromo-2-methylp...3-Amin-5-bromo-2-methylpyridine5-Bromo-2-Methylpyridine-3-amine3-pyridinaMine, 5-broMo-2-Methyl

SCHEMBL116486CHEMBL45636165-bromo-2-methyl-3-pyridylamineorb29460152-methyl-3-amino-5-bromopyridineSBB051825AKOS005137947CS-W003575

Database identifiers

CAS: 914358-73-9
PubChem CID: 21964096
DTXSID: DTXSID60620889
ChEMBL: CHEMBL4563616
EC Number: 988-145-4
Nikkaji: J3.693.426C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 108 · 108-109℃
Boiling point: 283.5 · 283.5±35.0 °C(Predicted)
Density: 1.593 · 1.593±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline solid
pka: 4.53 · 4.53±0.20(Predicted)
color: Off-white
InChI: InChI=1S/C6H7BrN2/c1-4-6(8)2-5(7)3-9-4/h2-3H,8H2,1H3
InChIKey: CBAXYISWNGGXOZ-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(Br)C=C1N
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335-H302-H318
Precautionary statements: 280 · P280-P305+P351+P338-P261-P280a-P304+P340-P405-P501a
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335-H302-H318
Precautionary statements: P280-P305+P351+P338-P261-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications · 2 items

Description5-Bromo-2-methylpyridin-3-amine is also named as 3-Amino-5-bromo-2-methylpyridine. It can be converted to 5-bromo-2-methyl-3-pyridinol by diazotization with sodium nitrite in aqueous sulfuric acid. 5-Bromo-2-methyl-3-pyridinol can be used to make brominated dihydropyridines, which are substrates for the palladium catalyzed coupling, a process to produce compounds for the treatment of patients with disorders, such as central nervous system disorders.

Uses3-Amino-5-bromo-2-methylpyridine (3ABMP) is a kind of biochemical reagent.