phenyl dihydrogen phosphate;bis(pyridine)

C16H17N2O4P — CID 173460935

IUPACphenyl dihydrogen phosphate;bis(pyridine)
SMILESO=P(O)(O)Oc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H7O4P.2C5H5N/c7-11(8,9)10-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H,(H2,7,8,9);2*1-5H
InChIKeyUCSBQBVJSMRCLX-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.32
Rot. Bonds2

About phenyl dihydrogen phosphate;bis(pyridine)

phenyl dihydrogen phosphate;bis(pyridine) (PubChem CID 173460935) has the molecular formula C16H17N2O4P and a molecular weight of 332.30 g/mol. Its IUPAC name is phenyl dihydrogen phosphate;bis(pyridine).

Molecular Properties

Compound Namephenyl dihydrogen phosphate;bis(pyridine)
PubChem CID173460935
Molecular FormulaC16H17N2O4P
Molecular Weight332.30 g/mol
Exact Mass332.09
IUPAC Namephenyl dihydrogen phosphate;bis(pyridine)
SMILESO=P(O)(O)Oc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H7O4P.2C5H5N/c7-11(8,9)10-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H,(H2,7,8,9);2*1-5H
InChIKeyUCSBQBVJSMRCLX-UHFFFAOYSA-N
XLogP3.32
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl dihydrogen phosphate;bis(pyridine)?
The IUPAC name of phenyl dihydrogen phosphate;bis(pyridine) (CID 173460935) is phenyl dihydrogen phosphate;bis(pyridine).
What is the SMILES notation for phenyl dihydrogen phosphate;bis(pyridine)?
The canonical SMILES for phenyl dihydrogen phosphate;bis(pyridine) is O=P(O)(O)Oc1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of phenyl dihydrogen phosphate;bis(pyridine)?
The InChIKey is UCSBQBVJSMRCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O4P.2C5H5N/c7-11(8,9)10-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H,(H2,7,8,9);2*1-5H.
What are the key properties of phenyl dihydrogen phosphate;bis(pyridine)?
phenyl dihydrogen phosphate;bis(pyridine) has a molecular weight of 332.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl dihydrogen phosphate;bis(pyridine) is sourced from PubChem (CID 173460935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).