2-Amino-5-bromonicotinic acid

HCID 737445

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Basic information

CAS: 52833-94-0
Standard SMILES: Nc1ncc(Br)cc1C(=O)O
InChIKey: IEPDTLRHISNBLB-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O2
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.9534395

Names & identifiers

Preferred name: 2-Amino-5-bromonicotinic acid
IUPAC: 2-amino-5-bromopyridine-3-carboxylic acid
English name: 2-Amino-5-bromonicotinic acid
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

2-amino-5-bromonicotinic acid52833-94-0DTXSID60353241RefChem:255674DTXCID10304304640-143-12-amino-5-bromopyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 2-amino-5-bromo-2-amino-5-bromonicotinicacidMFCD018602272-amino-5-bromo-pyridine-3-carboxylic acid2-AMINO-5-BROMO-NICOTINIC ACID

Show more names

2-Amino-5-bromonicotinic ...1-AMino-5-broMonicotinic acid5-Bromo-2-Amino Nicotinic Acid2-Amino-5-bromonicotinic acid 95%2-Amino-5-bromonicotinic acid,95%2-Amino-5-bromonicotinic acid ,97%2-Amino-5-bromonicotinic acid USP/EP/BP

2-Amino-5-bromonicotonic acid528333-94-02-AMINO-5-BROMO-3-PYRIDINECARBOXYLIC ACID2-amino-5-bromo-3-pyridine carboxylic acid2-amino5-bromonicotinic acidSCHEMBL8361635-bromo-2-aminonicotinic acidSCHEMBL30861515

Database identifiers

CAS: 52833-94-0
PubChem CID: 737445
DTXSID: DTXSID60353241
EC Number: 640-143-1

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 253 · 253-255°C
Boiling point: 350.4 · 350.4±42.0 °C(Predicted)
Density: 1.909 · 1.909
refractive index: 1.515 · 1.5150 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder
pka: 2.55 · 2.55±0.10(Predicted)
color: Pale yellow
CAS DataBase Reference: 52833 · 52833-94-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
RIDADR: 2811 · UN2811
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

ridadr: UN2811
hs_code: 29333990
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
safety_code: 37/39-26
hazard_class: IRRITANT
Hazard statements: H302-H312-H314-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501

Chemistry & industry

Applications · 1 item

Uses2-Amino-5-bromonicotinic acid is an organic intermediate that can be prepared by brominating 2-aminonicotinic acid. Literature reports that 2-amino-5-bromonicotinic acid can be used to prepare 6-pyrazole-substituted quinazoline compounds and their derivatives. These compounds exhibit high tyrosine kinase inhibitory activity and strong inhibitory activity against human breast cancer cells and lung adenocarcinoma cells.