Diphenyl-2-pyridylphosphine

Catalog Number	ACM37943901-1
CAS	37943-90-1
Structure
Synonyms	2-(Diphenylphosphino)Pyridine
IUPAC Name	diphenyl(pyridin-2-yl)phosphane
Molecular Weight	263.28
Molecular Formula	C17H14NP
InChI	SVABQOITNJTVNJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
Boiling Point	163 °C(Press: 0.05 Torr)
Melting Point	82-84 °C(dec.)(lit.)
Purity	98%
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=N3
pKa	2.37±0.12(Predicted)

Q&A

What is the IUPAC name for the chemical structure shown?

The IUPAC name is diphenyl(pyridin-2-yl)phosphane.

What is the molecular formula of Diphenyl-2-pyridylphosphine?

The molecular formula is C17H14NP.

What is the exact mass of Diphenyl-2-pyridylphosphine?

The exact mass is 263.086386449 g/mol.

How many heavy atoms are present in Diphenyl-2-pyridylphosphine?

There are 19 heavy atoms in Diphenyl-2-pyridylphosphine.

How many rotatable bonds are present in Diphenyl-2-pyridylphosphine?

There are 3 rotatable bonds in Diphenyl-2-pyridylphosphine.

What is the Canonical SMILES of Diphenyl-2-pyridylphosphine?

The Canonical SMILES is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=N3.

What is the computed formal charge of Diphenyl-2-pyridylphosphine?

The computed formal charge is 0.

What is the XLogP3 value of Diphenyl-2-pyridylphosphine?

The XLogP3 value is 3.9.

What is the InChIKey for Diphenyl-2-pyridylphosphine?

The InChIKey is SVABQOITNJTVNJ-UHFFFAOYSA-N.

What is the UNII for Diphenyl-2-pyridylphosphine?

The UNII for Diphenyl-2-pyridylphosphine is 4K685YSU7Y.