2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine

C15H16FN — CID 169299410

IUPAC2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(C)C
InChIInChI=1S/C15H16FN/c1-10(2)14-8-15(17-9-11(14)3)12-4-6-13(16)7-5-12/h4-10H,1-3H3/i3D3
InChIKeyLITNYQMTDKRXJL-HPRDVNIFSA-N
MW232.32 g/mol
LogP4.32
Rot. Bonds3

About 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine

2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine (PubChem CID 169299410) has the molecular formula C15H16FN and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine
PubChem CID169299410
Molecular FormulaC15H16FN
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(C)C
InChIInChI=1S/C15H16FN/c1-10(2)14-8-15(17-9-11(14)3)12-4-6-13(16)7-5-12/h4-10H,1-3H3/i3D3
InChIKeyLITNYQMTDKRXJL-HPRDVNIFSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-5-(trideuteriomethyl)-4-(trifluoromethyl)pyridine
CID 169301199
[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane
CID 156657586
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
CID 170284625
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
2-(4-fluorophenyl)-5-[2-[3-methyl-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-propan-2-ylpyridine
CID 162085107
4,5-dimethyl-2-(4-propan-2-ylphenyl)pyridine
CID 59538629
2-(2,4-dimethyl-5-phenylphenyl)-5-methyl-4-propan-2-ylpyridine
CID 170364620
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
CID 168964997
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium
CID 67715277

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine (CID 169299410) is 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cnc(-c2ccc(F)cc2)cc1C(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine?
The InChIKey is LITNYQMTDKRXJL-HPRDVNIFSA-N. The full InChI is InChI=1S/C15H16FN/c1-10(2)14-8-15(17-9-11(14)3)12-4-6-13(16)7-5-12/h4-10H,1-3H3/i3D3.
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine?
2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine has a molecular weight of 232.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propan-2-yl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 169299410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).