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

C19H17N — CID 162707478

IUPAC2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccccn2)cc1C([2H])([2H])c1ccccc1
InChIInChI=1S/C19H17N/c1-15-10-11-17(19-9-5-6-12-20-19)14-18(15)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/i1D3,13D2
InChIKeySCJQDPMWFZHJAJ-HGSMBRELSA-N
MW264.38 g/mol
LogP4.65
Rot. Bonds4

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

2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 162707478) has the molecular formula C19H17N and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
PubChem CID162707478
Molecular FormulaC19H17N
Molecular Weight264.38 g/mol
Exact Mass264.17
IUPAC Name2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccccn2)cc1C([2H])([2H])c1ccccc1
InChIInChI=1S/C19H17N/c1-15-10-11-17(19-9-5-6-12-20-19)14-18(15)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/i1D3,13D2
InChIKeySCJQDPMWFZHJAJ-HGSMBRELSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
CID 162709845
(2-methyl-4-pyridin-2-ylphenyl)methanol
CID 140586604
2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine
CID 162708061
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
2-benzyl-4-pyridin-2-ylbenzonitrile
CID 162707729
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-pyridin-2-ylphenyl)pyridine
CID 153412508
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine (CID 162707478) is 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1ccc(-c2ccccn2)cc1C([2H])([2H])c1ccccc1.
What is the InChIKey of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is SCJQDPMWFZHJAJ-HGSMBRELSA-N. The full InChI is InChI=1S/C19H17N/c1-15-10-11-17(19-9-5-6-12-20-19)14-18(15)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/i1D3,13D2.
What are the key properties of 2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine?
2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 264.38 g/mol, XLogP of 4.65, 4 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]pyridine is sourced from PubChem (CID 162707478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).