4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium

C36H27BrN6Ru — CID 59898422

IUPAC4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H11BrN2.2C10H8N2.Ru/c17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11H;2*1-8H;
InChIKeyBTKKIVUYBGVVRX-UHFFFAOYSA-N
MW724.63 g/mol
LogP8.86
Rot. Bonds4

About 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium

4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59898422) has the molecular formula C36H27BrN6Ru and a molecular weight of 724.63 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59898422
Molecular FormulaC36H27BrN6Ru
Molecular Weight724.63 g/mol
Exact Mass724.05
IUPAC Name4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H11BrN2.2C10H8N2.Ru/c17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11H;2*1-8H;
InChIKeyBTKKIVUYBGVVRX-UHFFFAOYSA-N
XLogP8.86
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
5-(4-Bromophenyl)-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin
CID 135407394
2-(4-Bromophenyl)-8-methyl-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
CID 772863
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
2-(4-Bromophenyl)-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
CID 775638
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59898422) is 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium is Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is BTKKIVUYBGVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2.2C10H8N2.Ru/c17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-11H;2*1-8H;.
What are the key properties of 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium?
4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 724.63 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59898422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).