tris[(6-methyl-2-pyridinyl)methyl]phosphane

C21H24N3P — CID 163409677

IUPACtris[(6-methyl-2-pyridinyl)methyl]phosphane
SMILESCc1cccc(CP(Cc2cccc(C)n2)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H24N3P/c1-16-7-4-10-19(22-16)13-25(14-20-11-5-8-17(2)23-20)15-21-12-6-9-18(3)24-21/h4-12H,13-15H2,1-3H3
InChIKeyGMAYAFDRJYTVNZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.18
Rot. Bonds6

About tris[(6-methyl-2-pyridinyl)methyl]phosphane

tris[(6-methyl-2-pyridinyl)methyl]phosphane (PubChem CID 163409677) has the molecular formula C21H24N3P and a molecular weight of 349.42 g/mol. Its IUPAC name is tris[(6-methyl-2-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Nametris[(6-methyl-2-pyridinyl)methyl]phosphane
PubChem CID163409677
Molecular FormulaC21H24N3P
Molecular Weight349.42 g/mol
Exact Mass349.17
IUPAC Nametris[(6-methyl-2-pyridinyl)methyl]phosphane
SMILESCc1cccc(CP(Cc2cccc(C)n2)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H24N3P/c1-16-7-4-10-19(22-16)13-25(14-20-11-5-8-17(2)23-20)15-21-12-6-9-18(3)24-21/h4-12H,13-15H2,1-3H3
InChIKeyGMAYAFDRJYTVNZ-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6,6'-Bi-2-picoline
CID 20445
2-Diphenylphosphino-6-methylpyridine
CID 5242583
2,6-Bis(DI-tert-butylphosphinomethyl)pyridine
CID 11157260
2-(Diphenylphosphanyl)-6-(2-methylbutan-2-yl)pyridine
CID 23634537
15,16-Diazatricyclo(9.3.1.14,8)hexadeca-1(15),4,6,8(16),11,13-hexaene
CID 138775
N1,N2-Bis[(6-methyl-2-pyridinyl)methylene]-1,2-ethanediamine
CID 3018656
6,6''-Dimethyl-2,2':6',2''-terpyridine
CID 11257813
Tris[2-(2-pyridyl)ethyl]amine
CID 379260
Pyridine, 2,6-bis((diphenylphosphino)methyl)-
CID 603400
2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine
CID 373510
2,6-Di-[2(pyridin-2-yl)vinyl]pyridine
CID 5471826
1-(6-fluoro-2-pyridinyl)-N,N-bis[(6-fluoro-2-pyridinyl)methyl]methanamine
CID 12107944

Frequently Asked Questions

What is the IUPAC name of tris[(6-methyl-2-pyridinyl)methyl]phosphane?
The IUPAC name of tris[(6-methyl-2-pyridinyl)methyl]phosphane (CID 163409677) is tris[(6-methyl-2-pyridinyl)methyl]phosphane.
What is the SMILES notation for tris[(6-methyl-2-pyridinyl)methyl]phosphane?
The canonical SMILES for tris[(6-methyl-2-pyridinyl)methyl]phosphane is Cc1cccc(CP(Cc2cccc(C)n2)Cc2cccc(C)n2)n1.
What is the InChIKey of tris[(6-methyl-2-pyridinyl)methyl]phosphane?
The InChIKey is GMAYAFDRJYTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N3P/c1-16-7-4-10-19(22-16)13-25(14-20-11-5-8-17(2)23-20)15-21-12-6-9-18(3)24-21/h4-12H,13-15H2,1-3H3.
What are the key properties of tris[(6-methyl-2-pyridinyl)methyl]phosphane?
tris[(6-methyl-2-pyridinyl)methyl]phosphane has a molecular weight of 349.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(6-methyl-2-pyridinyl)methyl]phosphane is sourced from PubChem (CID 163409677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).