(6-methyl-2-pyridinyl)-diphenylphosphane

C18H16NP — CID 5242583

IUPAC(6-methyl-2-pyridinyl)-diphenylphosphane
SMILESCc1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H16NP/c1-15-9-8-14-18(19-15)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyXEXYRTTUCDBSPJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.15
Rot. Bonds3

About (6-methyl-2-pyridinyl)-diphenylphosphane

(6-methyl-2-pyridinyl)-diphenylphosphane (PubChem CID 5242583) has the molecular formula C18H16NP and a molecular weight of 277.31 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-diphenylphosphane.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-diphenylphosphane
PubChem CID5242583
Molecular FormulaC18H16NP
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name(6-methyl-2-pyridinyl)-diphenylphosphane
SMILESCc1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H16NP/c1-15-9-8-14-18(19-15)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyXEXYRTTUCDBSPJ-UHFFFAOYSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.15
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 (6-methyl-2-pyridinyl)-diphenylphosphane?
The IUPAC name of (6-methyl-2-pyridinyl)-diphenylphosphane (CID 5242583) is (6-methyl-2-pyridinyl)-diphenylphosphane.
What is the SMILES notation for (6-methyl-2-pyridinyl)-diphenylphosphane?
The canonical SMILES for (6-methyl-2-pyridinyl)-diphenylphosphane is Cc1cccc(P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-diphenylphosphane?
The InChIKey is XEXYRTTUCDBSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NP/c1-15-9-8-14-18(19-15)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-diphenylphosphane?
(6-methyl-2-pyridinyl)-diphenylphosphane has a molecular weight of 277.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-diphenylphosphane is sourced from PubChem (CID 5242583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).