Basic information
- CAS
81587-15-7- Standard SMILES
O=[N+]([O-])c1ccc(C=C2C=CN(CCO)C=C2)cc1- InChIKey
CWBKOUWCESQBBB-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 2-(4-(4-(Hydroxy(oxido)amino)benzylidene)-1(4H)-pyridinyl)ethanol
- IUPAC
- 2-[4-[(4-nitrophenyl)methylidene]-1-pyridinyl]ethanol
Names & synonyms
81587-15-72-(4-(4-(Hydroxy(oxido)amino)benzylidene)-1(4H)-pyridinyl)ethanolNSC362861NSC 362861NSC-3628612-[4-[(4-nitrophenyl)methylidene]pyridin-1-yl]ethanol4Z3B537DPYDTXSID30231209DS-0128422-[4-[(4-nitrophenyl)methylene]-1-pyridyl]ethanol4-[(4-Nitrophenyl)methylene]-1(4H)-pyridineethanol1(4H)-Pyridineethanol, 4-[(4-nitrophenyl)methylene]-
Show more names
1-(2-Hydroxyethyl)-4-(p-nitrobenzylidene)-1,4-dihydropyridine2-{4-[(4-Nitrophenyl)methylidene]pyridin-1(4H)-yl}ethan-1-ol2-{4-[(4-nitrophenyl)methylidene]-1,4-dihydropyridin-1-yl}ethan-1-ol
Database identifiers
- CAS
81587-15-7- PubChem CID
- 338780
- DTXSID
DTXSID30231209- UNII
- 4Z3B537DPY
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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