2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
Basic information
- CAS
108106-97-4- Standard SMILES
N#Cc1cc2c([nH]c1=O)CCC2- InChIKey
CNZRRQHIZFDOSX-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
- IUPAC
- 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
- English name
- 2-Oxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitrile
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
108106-97-42-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrileDTXSID103586452-oxo-1H,2H,5H,6H,7H-cyclopenta(b)pyridine-3-carbonitrileRefChem:264831DTXCID80309700859-498-02-Oxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitrile2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrileMFCD03851982SCHEMBL16019317
Show more names
2,5,6,7-tetrahydro-2-oxo-1H-Cyclopenta[b]pyridine-3-carbonitrile1H-Cyclopenta[b]pyridine-3-carbonitrile, 2,5,6,7-tetrahydro-2-oxo-
SCHEMBL22542486ALBB-032048IEA10697STK926783STL514170ZB1331AKOS002300488AKOS015866856
Database identifiers
- CAS
108106-97-4- PubChem CID
- 907352
- DTXSID
DTXSID10358645- EC Number
- 859-498-0
- Nikkaji
- J761.257E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 478.2 · 478.2±28.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H312-H335-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H312-H335-H332-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…