[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane

C21H22NP — CID 88673400

IUPAC[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane
SMILESCC(C)Cc1ccnc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H22NP/c1-17(2)15-18-13-14-22-21(16-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16-17H,15H2,1-2H3
InChIKeyOWEIQVTYGVALTB-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.04
Rot. Bonds5

About [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane

[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane (PubChem CID 88673400) has the molecular formula C21H22NP and a molecular weight of 319.39 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane
PubChem CID88673400
Molecular FormulaC21H22NP
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC Name[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane
SMILESCC(C)Cc1ccnc(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H22NP/c1-17(2)15-18-13-14-22-21(16-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16-17H,15H2,1-2H3
InChIKeyOWEIQVTYGVALTB-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
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 [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane?
The IUPAC name of [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane (CID 88673400) is [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane.
What is the SMILES notation for [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane?
The canonical SMILES for [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane is CC(C)Cc1ccnc(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane?
The InChIKey is OWEIQVTYGVALTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NP/c1-17(2)15-18-13-14-22-21(16-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16-17H,15H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane?
[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane has a molecular weight of 319.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane is sourced from PubChem (CID 88673400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).