CAS 141703-16-4 5-Bromo-4-hydroxy-6-methylpyridine-3-carboxylic acid (HCID 18329967)

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Basic information

CAS: 141703-16-4
Standard SMILES: Cc1[nH]cc(C(=O)O)c(=O)c1Br
InChIKey: AFOTZKWPHPDPAH-UHFFFAOYSA-N
Molecular formula: C7H6BrNO3
Average molar mass: 232.03 g/mol

Names & identifiers

Preferred name: 5-Bromo-4-hydroxy-6-methylpyridine-3-carboxylic acid
IUPAC: 5-bromo-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
English name: 5-bromo-4-hydroxy-6-methylpyridine-3-carboxylic acid
Molecular formula: C7H6BrNO3
Molecular weight: 232.03

Names & synonyms

141703-16-45-bromo-4-hydroxy-6-methylpyridine-3-carboxylic acidRefChem:533722847-113-95-bromo-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid86788-98-95-bromo-4-hydroxy-6-methylnicotinic acid5-bromo-6-methyl-4-oxo-1H-pyridine-3-carboxylic acidSCHEMBL2186263SCHEMBL2656486AFOTZKWPHPDPAH-UHFFFAOYSA-NRFA70316

Show more names

5-Bromo-4-hydroxy-6-methyl-nicotinic acid3-Pyridinecarboxylic acid, 5-bromo-4-hydroxy-6-methyl-

AKOS017557255AKOS0234102365-bromo-4-hydroxy-6-methylnicotinicacidDA-01932DB-206927EN300-1088385-Bromo-4-hydroxy-6-methyl-3-pyridinecarboxylic acid3-bromo-1,4-dihydro-2-methyl-4-oxo-5-pyridinecarboxylic acid

Database identifiers

CAS: 141703-16-4
PubChem CID: 18329967
EC Number: 847-113-9

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 317

Physicochemical properties

Boiling point: 444.1 · 444.1±45.0 °C(Predicted)
Density: 1.84 · 1.840±0.06 g/cm3(Predicted)
pka: -0.32 · -0.32±0.19(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P