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

C17H12N2O — CID 171721165

IUPAC8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])c1cncc2oc3c(-c4ccccn4)cccc3c12
InChIInChI=1S/C17H12N2O/c1-11-9-18-10-15-16(11)13-6-4-5-12(17(13)20-15)14-7-2-3-8-19-14/h2-10H,1H3/i1D3
InChIKeyNTRATSICEFTSIR-FIBGUPNXSA-N
MW263.31 g/mol
LogP4.35
Rot. Bonds2

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

8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 171721165) has the molecular formula C17H12N2O and a molecular weight of 263.31 g/mol. Its IUPAC name is 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
PubChem CID171721165
Molecular FormulaC17H12N2O
Molecular Weight263.31 g/mol
Exact Mass263.11
IUPAC Name8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
SMILES[2H]C([2H])([2H])c1cncc2oc3c(-c4ccccn4)cccc3c12
InChIInChI=1S/C17H12N2O/c1-11-9-18-10-15-16(11)13-6-4-5-12(17(13)20-15)14-7-2-3-8-19-14/h2-10H,1H3/i1D3
InChIKeyNTRATSICEFTSIR-FIBGUPNXSA-N
XLogP4.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-ylpyridine
CID 59500175
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
4-pyridin-2-ylxanthen-9-one
CID 167260109
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
1-fluoro-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 170250799
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829634
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450257
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 176814936
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

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine (CID 171721165) is 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine is [2H]C([2H])([2H])c1cncc2oc3c(-c4ccccn4)cccc3c12.
What is the InChIKey of 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is NTRATSICEFTSIR-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-9-18-10-15-16(11)13-6-4-5-12(17(13)20-15)14-7-2-3-8-19-14/h2-10H,1H3/i1D3.
What are the key properties of 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine?
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 263.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 171721165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).