2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)

C96H76F12N16O4Os4 — CID 159521128

IUPAC2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)
SMILESCC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.[Os+2].[Os+2].[Os+2].[Os+2].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C10H7F3N3.4Os/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*11-10(12,13)9-6-8(15-16-9)5-7-3-1-2-4-14-7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*1-4,6H,5H2;;;;/q8*-1;4*+2
InChIKeyWDNQGNPOACQUIZ-UHFFFAOYSA-N
MW2506.67 g/mol
LogP21.35
Rot. Bonds19

About 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)

2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) (PubChem CID 159521128) has the molecular formula C96H76F12N16O4Os4 and a molecular weight of 2506.67 g/mol. Its IUPAC name is 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine).

Molecular Properties

Compound Name2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)
PubChem CID159521128
Molecular FormulaC96H76F12N16O4Os4
Molecular Weight2506.67 g/mol
Exact Mass2512.45
IUPAC Name2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)
SMILESCC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.[Os+2].[Os+2].[Os+2].[Os+2].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C10H7F3N3.4Os/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*11-10(12,13)9-6-8(15-16-9)5-7-3-1-2-4-14-7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*1-4,6H,5H2;;;;/q8*-1;4*+2
InChIKeyWDNQGNPOACQUIZ-UHFFFAOYSA-N
XLogP21.35
TPSA248.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002506.67
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)?
The IUPAC name of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) (CID 159521128) is 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine).
What is the SMILES notation for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)?
The canonical SMILES for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) is CC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.FC(F)(F)c1cc(Cc2ccccn2)[n-]n1.[Os+2].[Os+2].[Os+2].[Os+2].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)?
The InChIKey is WDNQGNPOACQUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C10H7F3N3.4Os/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*11-10(12,13)9-6-8(15-16-9)5-7-3-1-2-4-14-7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*1-4,6H,5H2;;;;/q8*-1;4*+2.
What are the key properties of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)?
2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) has a molecular weight of 2506.67 g/mol, XLogP of 21.35, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(2+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine) is sourced from PubChem (CID 159521128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).