10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline

C21H14N2O — CID 172522593

IUPAC10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
SMILES[2H]C([2H])([2H])c1nccc2c1ccc1c3cccc(-c4ccccn4)c3oc21
InChIInChI=1S/C21H14N2O/c1-13-14-8-9-16-15-5-4-6-18(19-7-2-3-11-23-19)21(15)24-20(16)17(14)10-12-22-13/h2-12H,1H3/i1D3
InChIKeyIRSQOVOIXPTDRH-FIBGUPNXSA-N
MW313.37 g/mol
LogP5.50
Rot. Bonds2

About 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline

10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline (PubChem CID 172522593) has the molecular formula C21H14N2O and a molecular weight of 313.37 g/mol. Its IUPAC name is 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline.

Molecular Properties

Compound Name10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
PubChem CID172522593
Molecular FormulaC21H14N2O
Molecular Weight313.37 g/mol
Exact Mass313.13
IUPAC Name10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
SMILES[2H]C([2H])([2H])c1nccc2c1ccc1c3cccc(-c4ccccn4)c3oc21
InChIInChI=1S/C21H14N2O/c1-13-14-8-9-16-15-5-4-6-18(19-7-2-3-11-23-19)21(15)24-20(16)17(14)10-12-22-13/h2-12H,1H3/i1D3
InChIKeyIRSQOVOIXPTDRH-FIBGUPNXSA-N
XLogP5.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.37
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-ylpyridine
CID 59500175
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033
18-[4-(deuteriomethyl)-5-(trideuteriomethyl)-2-pyridinyl]-8-(trideuteriomethyl)-10,20-dioxa-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 176823146
4-pyridin-2-ylxanthen-9-one
CID 167260109
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
2-[6-isocyano-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]pyridine
CID 154615902
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063

Frequently Asked Questions

What is the IUPAC name of 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline?
The IUPAC name of 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline (CID 172522593) is 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline.
What is the SMILES notation for 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline?
The canonical SMILES for 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline is [2H]C([2H])([2H])c1nccc2c1ccc1c3cccc(-c4ccccn4)c3oc21.
What is the InChIKey of 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline?
The InChIKey is IRSQOVOIXPTDRH-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H14N2O/c1-13-14-8-9-16-15-5-4-6-18(19-7-2-3-11-23-19)21(15)24-20(16)17(14)10-12-22-13/h2-12H,1H3/i1D3.
What are the key properties of 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline?
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline has a molecular weight of 313.37 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline is sourced from PubChem (CID 172522593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).