Phosphonic acid, [2-(2-pyridinyl)ethyl]-
Basic information
- CAS
101084-12-2- Standard SMILES
O=P(O)(O)CCc1ccccn1- InChIKey
IMDMRSKUJKZQQE-UHFFFAOYSA-N- Molecular formula
- C7H10NO3P
- Average molar mass
- 187.13 g/mol
- Monoisotopic mass
- 187.03983018
Names & identifiers
- Preferred name
- Phosphonic acid, [2-(2-pyridinyl)ethyl]-
- IUPAC
- 2-pyridin-2-ylethylphosphonic acid
Names & synonyms
101084-12-2Phosphonic acid, [2-(2-pyridinyl)ethyl]-(2-(Pyridin-2-yl)ethyl)phosphonic acid[2-(Pyridin-2-yl)ethyl]phosphonic acidSCHEMBL932969CHEMBL1801639DTXSID80393886Phosphonic acid, P-[2-(2-pyridinyl)ethyl]-
Database identifiers
- CAS
101084-12-2- PubChem CID
- 3584615
- DTXSID
DTXSID80393886- ChEMBL
CHEMBL1801639
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
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Related reactions
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Compound notes
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