8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

C18H14N2O — CID 122419767

IUPAC8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(C([2H])([2H])[2H])c12
InChIInChI=1S/C18H14N2O/c1-11-6-8-13(15-5-3-4-10-19-15)17-16(11)14-9-7-12(2)20-18(14)21-17/h3-10H,1-2H3/i1D3,2D3
InChIKeyNXJJUYJDNXSOPE-WFGJKAKNSA-N
MW280.36 g/mol
LogP4.66
Rot. Bonds3

About 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 122419767) has the molecular formula C18H14N2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID122419767
Molecular FormulaC18H14N2O
Molecular Weight280.36 g/mol
Exact Mass280.15
IUPAC Name8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(C([2H])([2H])[2H])c12
InChIInChI=1S/C18H14N2O/c1-11-6-8-13(15-5-3-4-10-19-15)17-16(11)14-9-7-12(2)20-18(14)21-17/h3-10H,1-2H3/i1D3,2D3
InChIKeyNXJJUYJDNXSOPE-WFGJKAKNSA-N
XLogP4.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (CID 122419767) is 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(C([2H])([2H])[2H])c12.
What is the InChIKey of 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NXJJUYJDNXSOPE-WFGJKAKNSA-N. The full InChI is InChI=1S/C18H14N2O/c1-11-6-8-13(15-5-3-4-10-19-15)17-16(11)14-9-7-12(2)20-18(14)21-17/h3-10H,1-2H3/i1D3,2D3.
What are the key properties of 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 280.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 122419767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).