4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine

C16H19N — CID 164797295

IUPAC4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C16H19N/c1-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(2,3)4/h5-11H,1-4H3/i1D3
InChIKeyFVGXWPYSZFOOMM-FIBGUPNXSA-N
MW228.35 g/mol
LogP4.35
Rot. Bonds2

About 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine

4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 164797295) has the molecular formula C16H19N and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
PubChem CID164797295
Molecular FormulaC16H19N
Molecular Weight228.35 g/mol
Exact Mass228.17
IUPAC Name4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1
InChIInChI=1S/C16H19N/c1-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(2,3)4/h5-11H,1-4H3/i1D3
InChIKeyFVGXWPYSZFOOMM-FIBGUPNXSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
5-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157182456
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-tert-butyl-2-[4-(trideuteriomethyl)-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]pyridine
CID 171461612
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
4-(2,2-dimethylpropyl)-2-(4-methylphenyl)pyridine
CID 162485913
2-(4-fluorophenyl)-4-(2-phenylpropan-2-yl)pyridine
CID 162708789

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine (CID 164797295) is 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1ccc(-c2cc(C(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is FVGXWPYSZFOOMM-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H19N/c1-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(2,3)4/h5-11H,1-4H3/i1D3.
What are the key properties of 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 228.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 164797295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).