(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium

C20H21NOP+ — CID 146520536

IUPAC(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H20NOP/c1-16(2)23(17-10-5-3-6-11-17,18-12-7-4-8-13-18)20-15-9-14-19(22)21-20/h3-16H,1-2H3/p+1
InChIKeyAGXRFCRGTYFBAP-UHFFFAOYSA-O
MW322.37 g/mol
LogP3.08
Rot. Bonds4

About (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium

(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium (PubChem CID 146520536) has the molecular formula C20H21NOP+ and a molecular weight of 322.37 g/mol. Its IUPAC name is (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium.

Molecular Properties

Compound Name(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium
PubChem CID146520536
Molecular FormulaC20H21NOP+
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H20NOP/c1-16(2)23(17-10-5-3-6-11-17,18-12-7-4-8-13-18)20-15-9-14-19(22)21-20/h3-16H,1-2H3/p+1
InChIKeyAGXRFCRGTYFBAP-UHFFFAOYSA-O
XLogP3.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium?
The IUPAC name of (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium (CID 146520536) is (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium.
What is the SMILES notation for (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium?
The canonical SMILES for (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium is CC(C)[P+](c1ccccc1)(c1ccccc1)c1cccc(=O)[nH]1.
What is the InChIKey of (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium?
The InChIKey is AGXRFCRGTYFBAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20NOP/c1-16(2)23(17-10-5-3-6-11-17,18-12-7-4-8-13-18)20-15-9-14-19(22)21-20/h3-16H,1-2H3/p+1.
What are the key properties of (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium?
(6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium has a molecular weight of 322.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyridin-2-yl)-diphenyl-propan-2-ylphosphanium is sourced from PubChem (CID 146520536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).