tert-butyl-phenyl-pyridin-3-ylphosphane

C15H18NP — CID 25185996

IUPACtert-butyl-phenyl-pyridin-3-ylphosphane
SMILESCC(C)(C)[P@](c1ccccc1)c1cccnc1
InChIInChI=1S/C15H18NP/c1-15(2,3)17(13-8-5-4-6-9-13)14-10-7-11-16-12-14/h4-12H,1-3H3/t17-/m1/s1
InChIKeyYUPGSVINKQLDIU-QGZVFWFLSA-N
MW243.29 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl-phenyl-pyridin-3-ylphosphane

tert-butyl-phenyl-pyridin-3-ylphosphane (PubChem CID 25185996) has the molecular formula C15H18NP and a molecular weight of 243.29 g/mol. Its IUPAC name is tert-butyl-phenyl-pyridin-3-ylphosphane.

Molecular Properties

Compound Nametert-butyl-phenyl-pyridin-3-ylphosphane
PubChem CID25185996
Molecular FormulaC15H18NP
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC Nametert-butyl-phenyl-pyridin-3-ylphosphane
SMILESCC(C)(C)[P@](c1ccccc1)c1cccnc1
InChIInChI=1S/C15H18NP/c1-15(2,3)17(13-8-5-4-6-9-13)14-10-7-11-16-12-14/h4-12H,1-3H3/t17-/m1/s1
InChIKeyYUPGSVINKQLDIU-QGZVFWFLSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.31
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 tert-butyl-phenyl-pyridin-3-ylphosphane?
The IUPAC name of tert-butyl-phenyl-pyridin-3-ylphosphane (CID 25185996) is tert-butyl-phenyl-pyridin-3-ylphosphane.
What is the SMILES notation for tert-butyl-phenyl-pyridin-3-ylphosphane?
The canonical SMILES for tert-butyl-phenyl-pyridin-3-ylphosphane is CC(C)(C)[P@](c1ccccc1)c1cccnc1.
What is the InChIKey of tert-butyl-phenyl-pyridin-3-ylphosphane?
The InChIKey is YUPGSVINKQLDIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C15H18NP/c1-15(2,3)17(13-8-5-4-6-9-13)14-10-7-11-16-12-14/h4-12H,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl-phenyl-pyridin-3-ylphosphane?
tert-butyl-phenyl-pyridin-3-ylphosphane has a molecular weight of 243.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-phenyl-pyridin-3-ylphosphane is sourced from PubChem (CID 25185996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).