6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile

C22H11F3N4O2 — CID 171745888

IUPAC6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2c(-c4nnc(C(F)(F)F)o4)c(C#N)ccc23)nc1
InChIInChI=1S/C22H11F3N4O2/c1-11-5-8-16(27-10-11)15-4-2-3-13-14-7-6-12(9-26)17(19(14)30-18(13)15)20-28-29-21(31-20)22(23,24)25/h2-8,10H,1H3/i1D3
InChIKeyNHTMUFRZFZCKGE-FIBGUPNXSA-N
MW423.37 g/mol
LogP5.90
Rot. Bonds3

About 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile

6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile (PubChem CID 171745888) has the molecular formula C22H11F3N4O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile
PubChem CID171745888
Molecular FormulaC22H11F3N4O2
Molecular Weight423.37 g/mol
Exact Mass423.10
IUPAC Name6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2c(-c4nnc(C(F)(F)F)o4)c(C#N)ccc23)nc1
InChIInChI=1S/C22H11F3N4O2/c1-11-5-8-16(27-10-11)15-4-2-3-13-14-7-6-12(9-26)17(19(14)30-18(13)15)20-28-29-21(31-20)22(23,24)25/h2-8,10H,1H3/i1D3
InChIKeyNHTMUFRZFZCKGE-FIBGUPNXSA-N
XLogP5.90
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile
CID 171745887
[6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-7-cyanodibenzofuran-4-yl]boronic acid
CID 171745968
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
6-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-4-[5-(trideuteriomethyl)-1,3,4-oxadiazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 171745924
6-[4,5-bis(trideuteriomethyl)-2-pyridinyl]-4-(tert-butyl-methyl-phenylsilyl)dibenzofuran-3-carbonitrile
CID 172542695
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 169077042
CID 174116029
CID 174116029
6-[4-[4-(2-tert-butyl-1,3-oxazol-5-yl)-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-4-[4-(trifluoromethyl)phenyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169301588
6-(4,5-dimethyl-2-pyridinyl)-2-fluoro-4-(5-trimethylsilyl-1,3,4-oxadiazol-2-yl)dibenzofuran-3-carbonitrile
CID 171746033
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
CID 167365859

Frequently Asked Questions

What is the IUPAC name of 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile?
The IUPAC name of 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile (CID 171745888) is 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile is [2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2c(-c4nnc(C(F)(F)F)o4)c(C#N)ccc23)nc1.
What is the InChIKey of 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile?
The InChIKey is NHTMUFRZFZCKGE-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H11F3N4O2/c1-11-5-8-16(27-10-11)15-4-2-3-13-14-7-6-12(9-26)17(19(14)30-18(13)15)20-28-29-21(31-20)22(23,24)25/h2-8,10H,1H3/i1D3.
What are the key properties of 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile?
6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile has a molecular weight of 423.37 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile is sourced from PubChem (CID 171745888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).