Methyl 6-thien-2-ylnicotinate

HCID 17879034
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Basic information

CAS
179408-53-8
Standard SMILES
COC(=O)c1ccc(-c2cccs2)nc1
InChIKey
SXGLIAOLXVLUCM-UHFFFAOYSA-N
Molecular formula
C11H9NO2S
Average molar mass
219.26 g/mol
Monoisotopic mass
219.03539953

Names & identifiers

Preferred name
Methyl 6-thien-2-ylnicotinate
IUPAC
methyl 6-thiophen-2-ylpyridine-3-carboxylate
English name
Methyl 6-thien-2-ylnicotinate 97
Molecular formula
C11H9NO2S
Molecular weight
219.26

Names & synonyms

179408-53-8Methyl 6-thien-2-ylnicotinatemethyl 6-thiophen-2-ylpyridine-3-carboxylateMFCD08690297METHYL 6-THIEN-2-YLNICOTINATE 97methyl 6-(2-thienyl)pyridine-3-carboxylateMethyl 6-(thiophen-2-yl)nicotinatemethyl 6-(thiophen-2-yl)pyridine-3-carboxylateSCHEMBL7317667DTXSID40591442SXGLIAOLXVLUCM-UHFFFAOYSA-NSBB095796
Show more names
Methyl 6-thien-2-ylnicotinate 97%3-Pyridinecarboxylic acid, 6-(2-thienyl)-, methyl ester
AKOS015908838DB-065269

Database identifiers

CAS
179408-53-8
PubChem CID
17879034
DTXSID
DTXSID40591442

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
117 · 117-118
Boiling point
333.5 · 333.5±32.0 °C(Predicted)
Density
1.25 · 1.250±0.06 g/cm3(Predicted)
pka
2.47 · 2.47±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers2 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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