dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde

C19H20NO4P — CID 161103202

IUPACdihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde
SMILESCOP(O)(O)(c1ccccc1)c1ccccc1.O=Cc1cccnc1
InChIInChI=1S/C13H15O3P.C6H5NO/c1-16-17(14,15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-5-6-2-1-3-7-4-6/h2-11,14-15H,1H3;1-5H
InChIKeyUIRYTCONDLFXRT-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.46
Rot. Bonds4

About dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde

dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde (PubChem CID 161103202) has the molecular formula C19H20NO4P and a molecular weight of 357.35 g/mol. Its IUPAC name is dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde.

Molecular Properties

Compound Namedihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde
PubChem CID161103202
Molecular FormulaC19H20NO4P
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Namedihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde
SMILESCOP(O)(O)(c1ccccc1)c1ccccc1.O=Cc1cccnc1
InChIInChI=1S/C13H15O3P.C6H5NO/c1-16-17(14,15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-5-6-2-1-3-7-4-6/h2-11,14-15H,1H3;1-5H
InChIKeyUIRYTCONDLFXRT-UHFFFAOYSA-N
XLogP2.46
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde?
The IUPAC name of dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde (CID 161103202) is dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde.
What is the SMILES notation for dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde?
The canonical SMILES for dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde is COP(O)(O)(c1ccccc1)c1ccccc1.O=Cc1cccnc1.
What is the InChIKey of dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde?
The InChIKey is UIRYTCONDLFXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O3P.C6H5NO/c1-16-17(14,15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;8-5-6-2-1-3-7-4-6/h2-11,14-15H,1H3;1-5H.
What are the key properties of dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde?
dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde has a molecular weight of 357.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde is sourced from PubChem (CID 161103202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).