8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine

C18H13NO — CID 90139251

IUPAC8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15/h2-11H,1H3/i1D3
InChIKeyXQOISOIKMSTGFI-FIBGUPNXSA-N
MW262.33 g/mol
LogP4.96
Rot. Bonds2

About 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine

8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90139251) has the molecular formula C18H13NO and a molecular weight of 262.33 g/mol. Its IUPAC name is 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90139251
Molecular FormulaC18H13NO
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15/h2-11H,1H3/i1D3
InChIKeyXQOISOIKMSTGFI-FIBGUPNXSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 158808732
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90139294
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 157380609
[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
CID 170293837
8-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-(2-deuteriopropan-2-yl)phenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 140920255
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170043073
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine (CID 90139251) is 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2ncccc23)cc1.
What is the InChIKey of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XQOISOIKMSTGFI-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H13NO/c1-12-7-9-13(10-8-12)14-4-2-5-15-16-6-3-11-19-18(16)20-17(14)15/h2-11H,1H3/i1D3.
What are the key properties of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine?
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 262.33 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90139251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).