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

C18H13NO — CID 90139294

IUPAC8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cnccc23)cc1
InChIInChI=1S/C18H13NO/c1-12-5-7-13(8-6-12)14-3-2-4-16-15-9-10-19-11-17(15)20-18(14)16/h2-11H,1H3/i1D3
InChIKeyFAQRVXORBZFWRK-FIBGUPNXSA-N
MW262.33 g/mol
LogP4.96
Rot. Bonds2

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

8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 90139294) 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-c]pyridine.

Molecular Properties

Compound Name8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID90139294
Molecular FormulaC18H13NO
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cnccc23)cc1
InChIInChI=1S/C18H13NO/c1-12-5-7-13(8-6-12)14-3-2-4-16-15-9-10-19-11-17(15)20-18(14)16/h2-11H,1H3/i1D3
InChIKeyFAQRVXORBZFWRK-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-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-b]pyridine
CID 90139251
N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166861741
8-[3-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 90139242
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
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
6-(3-methylphenyl)-[1]benzofuro[3,2-c]pyridine
CID 90139219
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147
11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575296
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 90139294) is 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine is [2H]C([2H])([2H])c1ccc(-c2cccc3c2oc2cnccc23)cc1.
What is the InChIKey of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is FAQRVXORBZFWRK-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H13NO/c1-12-5-7-13(8-6-12)14-3-2-4-16-15-9-10-19-11-17(15)20-18(14)16/h2-11H,1H3/i1D3.
What are the key properties of 8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
8-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[2,3-c]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-c]pyridine is sourced from PubChem (CID 90139294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).