3-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one

HCID 59568581

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Basic information

CAS: 1254319-55-5
Standard SMILES: CN1Cc2cc(Br)cnc2C1=O
InChIKey: BIAJIZVBOQVDTC-UHFFFAOYSA-N
Molecular formula: C8H7BrN2O
Average molar mass: 227.06 g/mol
Monoisotopic mass: 225.97417494

Names & identifiers

Preferred name: 3-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one
IUPAC: 3-bromo-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
English name: 3-Bromo-6-Methyl-5,6-Dihydro-Pyrrolo[3,4-B]Pyridin-7-One
Molecular formula: C8H7BrN2O
Molecular weight: 227.06

Names & synonyms

3-Bromo-5,6-dihydro-6-methyl-7H-pyrrolo[3,4-b]pyridin-7-one3-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one3-bromo-6-methyl-5H,6H,7H-pyrrolo(3,4-b)pyridin-7-one3-Bromo-5,6-dihydro-6-methyl-7H-pyrrolo(3,4-b)pyridin-7-oneRefChem:499094889-741-61254319-55-53-Bromo-6-methyl-5,6-dihydro-pyrrolo[3,4-b]pyridin-7-one3-Bromo-6-methyl-5H-pyrrolo[3,4-b]pyridin-7(6H)-oneMFCD202298343-bromo-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one3-Bromo-6-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one

Show more names

3-Bromo-6-Methyl-5,6-Dihydro-Pyrrolo[3,4-B]Pyridin-7-One(WX637150)

SCHEMBL289293BIAJIZVBOQVDTC-UHFFFAOYSA-NDTXSID301190128EAC319557H-Pyrrolo[3,4-b]pyridin-7-one, 3-bromo-5,6-dihydro-6-methyl-AKOS027255327NCGC01453258-01AS-54842

Database identifiers

CAS: 1254319-55-5
PubChem CID: 59568581
DTXSID: DTXSID301190128
EC Number: 889-741-6

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 33.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 209

Physicochemical properties

Boiling point: 376.5 · 376.5±42.0 °C(Predicted)
Density: 1.675 · 1.675±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 0.75 · 0.75±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 261 · P261-P264-P270-P272-P280-P301+P312-P302+P352-P321-P330-P333+P313-P363-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P261-P264-P270-P272-P280-P301+P312-P302+P352-P321-P330-P333+P313-P363-P501