CAS 669066-89-1 3-Amino-5-bromopyridine-2-carboxamide (HCID 21075862)

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Basic information

CAS: 669066-89-1
Standard SMILES: NC(=O)c1ncc(Br)cc1N
InChIKey: VKYMXWCCSJWUQY-UHFFFAOYSA-N
Molecular formula: C6H6BrN3O
Average molar mass: 216.04 g/mol
Monoisotopic mass: 214.96942391

Names & identifiers

Preferred name: 3-Amino-5-bromopyridine-2-carboxamide
IUPAC: 3-amino-5-bromopyridine-2-carboxamide
English name: 3-AMINO-5-BROMOPYRIDINE-2-CARBOXAMIDE
Molecular formula: C6H6BrN3O
Molecular weight: 216.04

Names & synonyms

669066-89-13-AMINO-5-BROMOPYRIDINE-2-CARBOXAMIDEDTXSID60610568RefChem:276526DTXCID00561323959-523-63-Amino-5-bromopicolinamideMFCD111102352-Pyridinecarboxamide, 3-amino-5-bromo-3-AMINO-5-BROMOPYRIDINE-3-CARBOXAMIDEbromopicolinamideSCHEMBL321782

Show more names

3-AMINO-5-BROMOPYRIDINE-2-CARBOXAMIDE ISO 9001：2015 REACH

SCHEMBL30423476VKYMXWCCSJWUQY-UHFFFAOYSA-NAKOS015855657CS-W014869GS-0601PB282263-amino-5-bromo-pyridine-2-carboxamide3-Amino-5-bromopicolinamide, AldrichCPR

Database identifiers

CAS: 669066-89-1
PubChem CID: 21075862
DTXSID: DTXSID60610568
EC Number: 959-523-6

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 82 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 358.8 · 358.8±42.0 °C(Predicted)
Density: 1.802 · 1.802±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 14.56 · 14.56±0.50(Predicted)
Appearance: Light yellow to brown Solid
InChI: InChI=1S/C6H6BrN3O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11)
InChIKey: VKYMXWCCSJWUQY-UHFFFAOYSA-N
SMILES: C1(C(N)=O)=NC=C(Br)C=C1N
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317-H319
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Hazard Codes: T
Risk Statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-36-43
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H317-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P280-P301+P310-P305+P351+P338