5-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
Basic information
- CAS
1354951-02-2- Standard SMILES
Cc1cc2cc[nH]c2c(=O)[nH]1- InChIKey
YNCVOFVJUZQLFT-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 5-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
- IUPAC
- 5-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
Names & synonyms
5-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one7H-Pyrrolo[2,3-c]pyridin-7-one, 1,6-dihydro-5-methyl-5-methyl-1H,6H,7H-pyrrolo(2,3-c)pyridin-7-one7H-Pyrrolo(2,3-c)pyridin-7-one, 1,6-dihydro-5-methyl-RefChem:536890856-274-41354951-02-25-Methyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one5-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-oneDTXSID701214166EEC95102AKOS026728974
Show more names
CS-0263045EN300-84888G608205-Methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-oneZ1255368377
Database identifiers
- CAS
1354951-02-2- PubChem CID
- 54595031
- DTXSID
DTXSID701214166- EC Number
- 856-274-4
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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