[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane

C18H24FNSi — CID 157326729

IUPAC[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1cc(-c2cccc(C)c2F)ncc1[Si](C)(C)C
InChIInChI=1S/C18H24FNSi/c1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19/h7-12H,1-6H3/i12D
InChIKeyQRDNWFHTYIHFHY-UQBWLURTSA-N
MW302.49 g/mol
LogP4.86
Rot. Bonds3

About [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane

[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane (PubChem CID 157326729) has the molecular formula C18H24FNSi and a molecular weight of 302.49 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
PubChem CID157326729
Molecular FormulaC18H24FNSi
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1cc(-c2cccc(C)c2F)ncc1[Si](C)(C)C
InChIInChI=1S/C18H24FNSi/c1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19/h7-12H,1-6H3/i12D
InChIKeyQRDNWFHTYIHFHY-UQBWLURTSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513
[4-(2-deuteriopropan-2-yl)-6-(3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 156658003
[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
CID 166574521
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylsilane
CID 155612207
[6-(2-fluorophenyl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 162166935
[6-(2,4-dimethylphenyl)-4-(3-methylbutan-2-yl)-3-pyridinyl]-trimethylsilane
CID 169038830
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
[6-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine
CID 165170613
trimethyl-[6-phenyl-4-(1-phenylethyl)-3-pyridinyl]silane
CID 155612623
4-(2-deuteriopropan-2-yl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 166588109

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane (CID 157326729) is [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane is [2H]C(C)(C)c1cc(-c2cccc(C)c2F)ncc1[Si](C)(C)C.
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is QRDNWFHTYIHFHY-UQBWLURTSA-N. The full InChI is InChI=1S/C18H24FNSi/c1-12(2)15-10-16(20-11-17(15)21(4,5)6)14-9-7-8-13(3)18(14)19/h7-12H,1-6H3/i12D.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane?
[4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 302.49 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-(2-fluoro-3-methylphenyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 157326729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).