2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)

C33H28N5ORu — CID 58352545

IUPAC2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILESCOc1c[c-]c(-c2ccc(C)cn2)cc1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12NO.2C10H8N2.Ru/c1-10-3-8-13(14-9-10)11-4-6-12(15-2)7-5-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,6-9H,1-2H3;2*1-8H;/q-1;;;+1
InChIKeyQYDPYHRNQVPYNV-UHFFFAOYSA-N
MW611.69 g/mol
LogP7.15
Rot. Bonds4

About 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)

2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) (PubChem CID 58352545) has the molecular formula C33H28N5ORu and a molecular weight of 611.69 g/mol. Its IUPAC name is 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+).

Molecular Properties

Compound Name2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
PubChem CID58352545
Molecular FormulaC33H28N5ORu
Molecular Weight611.69 g/mol
Exact Mass612.13
IUPAC Name2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
SMILESCOc1c[c-]c(-c2ccc(C)cn2)cc1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12NO.2C10H8N2.Ru/c1-10-3-8-13(14-9-10)11-4-6-12(15-2)7-5-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,6-9H,1-2H3;2*1-8H;/q-1;;;+1
InChIKeyQYDPYHRNQVPYNV-UHFFFAOYSA-N
XLogP7.15
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.69
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) with MolForge

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Related Compounds

tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-2H+)
CID 16683895
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
2,6-Dipyridin-2-ylpyridine;propan-2-one;pyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 168348690
Iridium;bis(2-phenylpyridine);2-pyridin-2-ylpyridine
CID 59773775
Osmium(2+);tris(2-pyridin-2-ylpyridine)
CID 169409983
Tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium
CID 170518310
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The IUPAC name of 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) (CID 58352545) is 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+).
What is the SMILES notation for 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The canonical SMILES for 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) is COc1c[c-]c(-c2ccc(C)cn2)cc1.[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
The InChIKey is QYDPYHRNQVPYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO.2C10H8N2.Ru/c1-10-3-8-13(14-9-10)11-4-6-12(15-2)7-5-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-4,6-9H,1-2H3;2*1-8H;/q-1;;;+1.
What are the key properties of 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)?
2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) has a molecular weight of 611.69 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+) is sourced from PubChem (CID 58352545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).