5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine

C19H17N — CID 166502915

IUPAC5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc(-c3ccccc3C([2H])([2H])[2H])c2)nc1
InChIInChI=1S/C19H17N/c1-14-10-11-19(20-13-14)17-8-5-7-16(12-17)18-9-4-3-6-15(18)2/h3-13H,1-2H3/i1D3,2D3
InChIKeyYQGZCTPTNUSMHR-WFGJKAKNSA-N
MW265.39 g/mol
LogP5.03
Rot. Bonds4

About 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine

5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine (PubChem CID 166502915) has the molecular formula C19H17N and a molecular weight of 265.39 g/mol. Its IUPAC name is 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
PubChem CID166502915
Molecular FormulaC19H17N
Molecular Weight265.39 g/mol
Exact Mass265.17
IUPAC Name5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc(-c3ccccc3C([2H])([2H])[2H])c2)nc1
InChIInChI=1S/C19H17N/c1-14-10-11-19(20-13-14)17-8-5-7-16(12-17)18-9-4-3-6-15(18)2/h3-13H,1-2H3/i1D3,2D3
InChIKeyYQGZCTPTNUSMHR-WFGJKAKNSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine?
The IUPAC name of 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine (CID 166502915) is 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine is [2H]C([2H])([2H])c1ccc(-c2cccc(-c3ccccc3C([2H])([2H])[2H])c2)nc1.
What is the InChIKey of 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine?
The InChIKey is YQGZCTPTNUSMHR-WFGJKAKNSA-N. The full InChI is InChI=1S/C19H17N/c1-14-10-11-19(20-13-14)17-8-5-7-16(12-17)18-9-4-3-6-15(18)2/h3-13H,1-2H3/i1D3,2D3.
What are the key properties of 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine?
5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine has a molecular weight of 265.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 166502915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).