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

C20H17NO — CID 158808732

IUPAC8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C(C)c1ccc(-c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C20H17NO/c1-13(2)14-8-10-15(11-9-14)16-5-3-6-17-18-7-4-12-21-20(18)22-19(16)17/h3-13H,1-2H3/i1D3
InChIKeyIYKKHCHAPIOKIO-FIBGUPNXSA-N
MW290.38 g/mol
LogP5.77
Rot. Bonds3

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

8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 158808732) has the molecular formula C20H17NO and a molecular weight of 290.38 g/mol. Its IUPAC name is 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID158808732
Molecular FormulaC20H17NO
Molecular Weight290.38 g/mol
Exact Mass290.15
IUPAC Name8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C(C)c1ccc(-c2cccc3c2oc2ncccc23)cc1
InChIInChI=1S/C20H17NO/c1-13(2)14-8-10-15(11-9-14)16-5-3-6-17-18-7-4-12-21-20(18)22-19(16)17/h3-13H,1-2H3/i1D3
InChIKeyIYKKHCHAPIOKIO-FIBGUPNXSA-N
XLogP5.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.77
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
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
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
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 168738216
[4-[7-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]naphthalen-2-yl]phenyl]phosphane
CID 170293837
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
8-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 170293616
8-[5-[4-fluoro-3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 170043073
8-(4-propan-2-yl-2-pyridinyl)-2-(2,3,3,3-tetradeuterio-2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
CID 158125886
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
4-([1]benzofuro[2,3-b]pyridin-8-yl)-N,N-bis(4-cinnolin-3-ylphenyl)aniline
CID 168765748

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine (CID 158808732) is 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C(C)c1ccc(-c2cccc3c2oc2ncccc23)cc1.
What is the InChIKey of 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IYKKHCHAPIOKIO-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H17NO/c1-13(2)14-8-10-15(11-9-14)16-5-3-6-17-18-7-4-12-21-20(18)22-19(16)17/h3-13H,1-2H3/i1D3.
What are the key properties of 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine?
8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 290.38 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1,1,1-trideuteriopropan-2-yl)phenyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158808732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).