2-methyl-5-[(E)-2-nitroethenyl]pyridine
Basic information
- CAS
1207517-61-0- Standard SMILES
Cc1ccc(/C=C/[N+](=O)[O-])cn1- InChIKey
SHFOVTPOZDIGET-SNAWJCMRSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Names & identifiers
- Preferred name
- 2-methyl-5-[(E)-2-nitroethenyl]pyridine
- IUPAC
- 2-methyl-5-[(E)-2-nitroethenyl]pyridine
Names & synonyms
2-Methyl-5-[(E)-2-nitroethenyl]pyridine1207517-61-02-methyl-5-((E)-2-nitroethenyl)pyridineRefChem:475638833-179-62-methyl-5-[(E)-2-nitroethenyl]pyridine, ESCHEMBL10178295EN300-365302
Database identifiers
- CAS
1207517-61-0- PubChem CID
- 57732966
- EC Number
- 833-179-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
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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