Diethyl 2,5-pyridinedicarboxylate

HCID 254728
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Basic information

CAS
5552-44-3
Standard SMILES
CCOC(=O)c1ccc(C(=O)OCC)nc1
InChIKey
AFWWHZBUQWEDLS-UHFFFAOYSA-N
Molecular formula
C11H13NO4
Average molar mass
223.22 g/mol
Monoisotopic mass
223.0844579

Names & identifiers

Preferred name
Diethyl 2,5-pyridinedicarboxylate
IUPAC
diethyl pyridine-2,5-dicarboxylate
English name
2,5-PYRIDINEDICARBOXYLIC ACID DIETHYL ESTER
Molecular formula
C11H13NO4
Molecular weight
223.23

Names & synonyms

5552-44-3Diethyl 2,5-pyridinedicarboxylateDTXSID20291953RefChem:1083476DTXCID40243095diethyl pyridine-2,5-dicarboxylate2,5-Pyridinedicarboxylic Acid Diethyl EsterMFCD001451902,5-diethyl pyridine-2,5-dicarboxylatePyridine-2,5-dicarboxylic acid diethyl esterBAS 02751355SCHEMBL1971939
Show more names
Nsc79261Diethyl isocinchomeronateethyl 2,5-pyridinedicarboxylateIsocinchomeronic acid diethyl ester2,5-Pyridinedicarboxylic acid, 2,5-diethyl ester2,5-PYRIDINEDICARBOXYLIC ACID DIETHYL ESTER 98+%
AFWWHZBUQWEDLS-UHFFFAOYSA-AS-50282SMR000122371Z794792246Diethyl 2,5-pyridinedi2,5-Pyridinedicarboxylic acid, diethyl esterFT-0746035NCIOpen2_004699

Database identifiers

CAS
5552-44-3
PubChem CID
254728
DTXSID
DTXSID20291953
ChEMBL
CHEMBL1604239
Nikkaji
J236.317H

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16

Physicochemical properties

Melting point
46 °C · 46 °C
Boiling point
181 °C · 181 °C / 17mmHg
Density
1.165 · 1.165±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal
pka
-0.1 · -0.10±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2933.39.9200
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers67 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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