[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane

C22H24FGeN — CID 162707186

IUPAC[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c([Ge](C)(C)C)cn2)c(F)c1
InChIInChI=1S/C22H24FGeN/c1-16-10-11-19(20(23)12-16)22-14-18(13-17-8-6-5-7-9-17)21(15-25-22)24(2,3)4/h5-12,14-15H,13H2,1-4H3/i1D3,13D2
InChIKeyHQPOGMWSYSMNRN-HGSMBRELSA-N
MW399.08 g/mol
LogP5.33
Rot. Bonds5

About [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane

[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane (PubChem CID 162707186) has the molecular formula C22H24FGeN and a molecular weight of 399.08 g/mol. Its IUPAC name is [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane.

Molecular Properties

Compound Name[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane
PubChem CID162707186
Molecular FormulaC22H24FGeN
Molecular Weight399.08 g/mol
Exact Mass400.14
IUPAC Name[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c([Ge](C)(C)C)cn2)c(F)c1
InChIInChI=1S/C22H24FGeN/c1-16-10-11-19(20(23)12-16)22-14-18(13-17-8-6-5-7-9-17)21(15-25-22)24(2,3)4/h5-12,14-15H,13H2,1-4H3/i1D3,13D2
InChIKeyHQPOGMWSYSMNRN-HGSMBRELSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.08
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane?
The IUPAC name of [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane (CID 162707186) is [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane.
What is the SMILES notation for [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane?
The canonical SMILES for [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane is [2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c([Ge](C)(C)C)cn2)c(F)c1.
What is the InChIKey of [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane?
The InChIKey is HQPOGMWSYSMNRN-HGSMBRELSA-N. The full InChI is InChI=1S/C22H24FGeN/c1-16-10-11-19(20(23)12-16)22-14-18(13-17-8-6-5-7-9-17)21(15-25-22)24(2,3)4/h5-12,14-15H,13H2,1-4H3/i1D3,13D2.
What are the key properties of [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane?
[4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane has a molecular weight of 399.08 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dideuterio(phenyl)methyl]-6-[2-fluoro-4-(trideuteriomethyl)phenyl]-3-pyridinyl]-trimethylgermane is sourced from PubChem (CID 162707186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).