Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate

HCID 15217844

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Basic information

CAS: 144740-55-6
Standard SMILES: COC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIKey: GBHCRQPCBVJSCG-UHFFFAOYSA-N
Molecular formula: C8H6F3NO3
Average molar mass: 221.13 g/mol
Monoisotopic mass: 221.02997771

Names & identifiers

Preferred name: Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
IUPAC: methyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate
English name: methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
Molecular formula: C8H6F3NO3
Molecular weight: 221.13

Names & synonyms

144740-55-6Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylateDTXSID00570172RefChem:354448DTXCID90520944866-147-5methyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylateMFCD184276943-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-, methyl esterMETHYL 2-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINATEmethyl 1,2-dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylateSCHEMBL3056728

Show more names

2-Hydroxy-6-trifluoromethyl-nicotinic acid methyl ester

SCHEMBL9264129Methyl2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylateAKOS015892094AC-27640DA-10218SY379443CS-0217312EN300-73565

Database identifiers

CAS: 144740-55-6
PubChem CID: 15217844
DTXSID: DTXSID00570172
EC Number: 866-147-5

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 368

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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.