6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine

HCID 289502
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Basic information

CAS
18184-75-3
Standard SMILES
O=C1c2cccnc2C(=O)N1Cc1ccccc1
InChIKey
DWUBVULEMQOCPO-UHFFFAOYSA-N
Molecular formula
C14H10N2O2
Average molar mass
238.24 g/mol
Monoisotopic mass
238.07422756

Names & identifiers

Preferred name
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
IUPAC
6-benzylpyrrolo[3,4-b]pyridine-5,7-dione
English name
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
Molecular formula
C14H10N2O2
Molecular weight
238.24

Names & synonyms

18184-75-36-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine6-benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione6-benzylpyrrolo[3,4-b]pyridine-5,7-dioneMFCD029301455H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-6-benzyl-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dioneNSC 151664N-Benzyl- 2,3-pyridinedicarboximideNSC1516646-(Phenylmethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dioneOprea1_804410
Show more names
7-dihydro-5Moxifloxacin IMP7-dioxopyrrolo[3Mosisasin Impurity 302,3-Pyridinedicarboximide,N-benzyl6-Benzyl-6H-pyrrolo[3,4-b]pyridine- 5,7-dione
MLS000118304SCHEMBL701413CHEMBL231571SCHEMBL30452314DTXSID10302502WLZ3010DWUBVULEMQOCPO-UHFFFAOYSA-NN-Benzyl-2,3-pyridinecarboximide

Database identifiers

CAS
18184-75-3
PubChem CID
289502
DTXSID
DTXSID10302502
ChEMBL
CHEMBL231571
EC Number
605-952-6
Nikkaji
J1.790.430B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
50.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

Melting point
154 · 154-156°C
Boiling point
418.9 · 418.9±28.0 °C(Predicted)
Density
1.368 · 1.368±0.06 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H317
Precautionary statements
P280

Chemistry & industry

Upstream & downstream products

Suppliers94 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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