Basic information
- CAS
59576-33-9- Standard SMILES
O=C(Cc1ccccn1)c1cccnc1- InChIKey
VXRWCMGYLGCAOZ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- 2-(Pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-one
- IUPAC
- 2-pyridin-2-yl-1-pyridin-3-ylethanone
Names & synonyms
2-(pyridin-2-yl)-1-(pyridin-3-yl)ethan-1-one2-(2-pyridinyl)-1-(3-pyridinyl)ethanoneDTXSID60313880RefChem:462081DTXCID30265004994-757-259576-33-92-pyridin-2-yl-1-pyridin-3-ylethanoneNSC278059SCHEMBL10414580JCA57633AKOS009305371
Show more names
NSC 278059NSC-2780592-(2-pyridyl)-1-(3-pyridyl)ethanoneCS-0223528EN300-115658Z381221274
Database identifiers
- CAS
59576-33-9- PubChem CID
- 322129
- DTXSID
DTXSID60313880- EC Number
- 994-757-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
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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