SYD

[(5-phenylpyridin-2-yl)methyl]phosphonic acid

Created: 2010-09-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count13
2D diagram of SYD

Chemical Component Summary

Name[(5-phenylpyridin-2-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)(5-phenylpyridin-2-yl)methylphosphonic acid
FormulaC12 H12 N O3 P
Molecular Weight249.202
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)Cc1ncc(cc1)c2ccccc2
SMILESCACTVS3.370O[P](O)(=O)Cc1ccc(cn1)c2ccccc2
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O
Canonical SMILESCACTVS3.370 O[P](O)(=O)Cc1ccc(cn1)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O
InChIInChI1.03 InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)
InChIKeyInChI1.03 JTYLHYFDHHMHKD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 50897581
ChEMBL CHEMBL1615246