5-Bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid

HCID 58192592CAS 1211586-75-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cnc(OCC(F)(F)F)c(Br)c1
InChIKey
MKSGQANMTYUZLH-UHFFFAOYSA-N
Molecular formula
C8H5BrF3NO3
Average molar mass
300.03 g/mol
Monoisotopic mass
298.94048978

Names & identifiers

Preferred name
5-Bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid
IUPAC
5-bromo-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
English name
5-broMo-6-(2,2,2-trifluoroethoxy)nicotinic acid
Molecular formula
C8H5BrF3NO3
Molecular weight
300.03

Names & synonyms

1211586-75-25-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid5-broMo-6-(2,2,2-trifluoroethoxy)nicotinic acid5-bromo-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid5-Bromo-6-(2,2,2-trifluoro-ethoxy)-nicotinic acidSCHEMBL439221MKSGQANMTYUZLH-UHFFFAOYSA-NDTXSID001188877MFCD18259304G622493-Pyridinecarboxylic acid, 5-bromo-6-(2,2,2-trifluoroethoxy)-

Database identifiers

CAS
1211586-75-2
PubChem CID
58192592
DTXSID
DTXSID001188877

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Boiling point
308.4 · 308.4±42.0 °C(Predicted)
Density
1.783 · 1.783±0.06 g/cm3(Predicted)
pka
3.16 · 3.16±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers2 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

21 records
New reaction record

Linked notes

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