3-phenyl-2-(trideuteriomethyl)pyridine

C12H11N — CID 172854146

IUPAC3-phenyl-2-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ncccc1-c1ccccc1
InChIInChI=1S/C12H11N/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11/h2-9H,1H3/i1D3
InChIKeyYLUZKERNKYNCLG-FIBGUPNXSA-N
MW172.25 g/mol
LogP3.06
Rot. Bonds2

About 3-phenyl-2-(trideuteriomethyl)pyridine

3-phenyl-2-(trideuteriomethyl)pyridine (PubChem CID 172854146) has the molecular formula C12H11N and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-phenyl-2-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name3-phenyl-2-(trideuteriomethyl)pyridine
PubChem CID172854146
Molecular FormulaC12H11N
Molecular Weight172.25 g/mol
Exact Mass172.11
IUPAC Name3-phenyl-2-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ncccc1-c1ccccc1
InChIInChI=1S/C12H11N/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11/h2-9H,1H3/i1D3
InChIKeyYLUZKERNKYNCLG-FIBGUPNXSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-2-(trideuteriomethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(trideuteriomethyl)pyridine?
The IUPAC name of 3-phenyl-2-(trideuteriomethyl)pyridine (CID 172854146) is 3-phenyl-2-(trideuteriomethyl)pyridine.
What is the SMILES notation for 3-phenyl-2-(trideuteriomethyl)pyridine?
The canonical SMILES for 3-phenyl-2-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ncccc1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(trideuteriomethyl)pyridine?
The InChIKey is YLUZKERNKYNCLG-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H11N/c1-10-12(8-5-9-13-10)11-6-3-2-4-7-11/h2-9H,1H3/i1D3.
What are the key properties of 3-phenyl-2-(trideuteriomethyl)pyridine?
3-phenyl-2-(trideuteriomethyl)pyridine has a molecular weight of 172.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(trideuteriomethyl)pyridine is sourced from PubChem (CID 172854146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).