3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester

HCID 15217845
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
144740-56-7
Standard SMILES
COC(=O)c1ccc(C(F)(F)F)nc1Br
InChIKey
PEEBGPINNABOSD-UHFFFAOYSA-N
Molecular formula
C8H5BrF3NO2
Average molar mass
284.03 g/mol
Monoisotopic mass
282.94557516

Names & identifiers

Preferred name
3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
IUPAC
methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate
English name
Methyl 2-bromo-6-(trifluoromethyl)nicotinate
Molecular formula
C8H5BrF3NO2
Molecular weight
284.03

Names & synonyms

3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl esterRefChem:505190methyl 2-bromo-6-(trifluoromethyl)nicotinate144740-56-7methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylateMFCD12025861methyl 2-bromo-6-(trifluoromethyl)-3-pyridinecarboxylateMethyl2-bromo-6-(trifluoromethyl)nicotinateSCHEMBL124080DTXSID60570173AC4297AKOS005071803
Show more names
Methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate, 2-Bromo-3-(methoxycarbonyl)-6-(trifluoromethyl)pyridine
BD-0273SY247095DB-370739F8310342-Bromo-6-trifluoromethyl-nicotinic acid methyl estermethyl 2-bromo-6-trifluoromethylpyridine-3-carboxylate

Database identifiers

CAS
144740-56-7
PubChem CID
15217845
DTXSID
DTXSID60570173
EC Number
109-988-9
Nikkaji
J2.418.788H

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

storage temp.
2 · Storage temp. 2-8°C
form
solid
Appearance
Colorless to light yellow Liquid
InChI
1S/C8H5BrF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChIKey
PEEBGPINNABOSD-UHFFFAOYSA-N
SMILES
O=C(OC)C(C=C1)=C(Br)N=C1C(F)(F)F

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)

Safety data

wgk
WGK 3
hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Storage Class
11 - Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers35 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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CAS 144740-56-7 3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester (HCID 15217845)｜Huagongshe