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

C19H18NP — CID 19065741

IUPAC(6-methyl-2-pyridinyl)methyl-diphenylphosphane
SMILESCc1cccc(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18NP/c1-16-9-8-10-17(20-16)15-21(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-14H,15H2,1H3
InChIKeyWXIYKCFXQJFFPK-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.02
Rot. Bonds4

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

(6-methyl-2-pyridinyl)methyl-diphenylphosphane (PubChem CID 19065741) has the molecular formula C19H18NP and a molecular weight of 291.33 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl-diphenylphosphane.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methyl-diphenylphosphane
PubChem CID19065741
Molecular FormulaC19H18NP
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name(6-methyl-2-pyridinyl)methyl-diphenylphosphane
SMILESCc1cccc(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18NP/c1-16-9-8-10-17(20-16)15-21(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-14H,15H2,1H3
InChIKeyWXIYKCFXQJFFPK-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.02
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)methyl-diphenylphosphane?
The IUPAC name of (6-methyl-2-pyridinyl)methyl-diphenylphosphane (CID 19065741) is (6-methyl-2-pyridinyl)methyl-diphenylphosphane.
What is the SMILES notation for (6-methyl-2-pyridinyl)methyl-diphenylphosphane?
The canonical SMILES for (6-methyl-2-pyridinyl)methyl-diphenylphosphane is Cc1cccc(CP(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methyl-diphenylphosphane?
The InChIKey is WXIYKCFXQJFFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18NP/c1-16-9-8-10-17(20-16)15-21(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-14H,15H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)methyl-diphenylphosphane?
(6-methyl-2-pyridinyl)methyl-diphenylphosphane has a molecular weight of 291.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methyl-diphenylphosphane is sourced from PubChem (CID 19065741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).