2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine

C20H19N — CID 162709845

IUPAC2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c(C([2H])([2H])c3ccccc3)c2)c1
InChIInChI=1S/C20H19N/c1-15-10-11-21-20(12-15)18-9-8-16(2)19(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/i1D3,2D3,13D2
InChIKeyUJZBBBSYECQPLG-WKGGBBDHSA-N
MW281.43 g/mol
LogP4.96
Rot. Bonds5

About 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine

2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine (PubChem CID 162709845) has the molecular formula C20H19N and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
PubChem CID162709845
Molecular FormulaC20H19N
Molecular Weight281.43 g/mol
Exact Mass281.20
IUPAC Name2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c(C([2H])([2H])c3ccccc3)c2)c1
InChIInChI=1S/C20H19N/c1-15-10-11-21-20(12-15)18-9-8-16(2)19(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/i1D3,2D3,13D2
InChIKeyUJZBBBSYECQPLG-WKGGBBDHSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
CID 162707478
2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine
CID 162708061
2-dibenzothiophen-2-yl-4-[dideuterio(phenyl)methyl]-5-(trideuteriomethyl)pyridine
CID 162708265
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-methyl-4-(4-methyl-2-pyridinyl)phenol
CID 136929186
2-phenyl-6-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611962
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
4-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162707508
[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane
CID 162707186
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967
2-phenyl-5-(trideuteriomethyl)-8-[4-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155610894
6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 163648243

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine (CID 162709845) is 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccnc(-c2ccc(C([2H])([2H])[2H])c(C([2H])([2H])c3ccccc3)c2)c1.
What is the InChIKey of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine?
The InChIKey is UJZBBBSYECQPLG-WKGGBBDHSA-N. The full InChI is InChI=1S/C20H19N/c1-15-10-11-21-20(12-15)18-9-8-16(2)19(14-18)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/i1D3,2D3,13D2.
What are the key properties of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine?
2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine has a molecular weight of 281.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 162709845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).