4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C35H33N6O2Ru+ — CID 172683802

IUPAC4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCC1(CCCC(=O)[O-])C=CN=C(c2ccccn2)C1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H18N2O2.2C10H8N2.Ru/c1-15(7-4-6-14(18)19)8-10-17-13(11-15)12-5-2-3-9-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,19);2*1-8H;/q;;;+2/p-1
InChIKeyATLAQUAYJZUWKO-UHFFFAOYSA-M
MW670.76 g/mol
LogP6.00
Rot. Bonds7

About 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 172683802) has the molecular formula C35H33N6O2Ru+ and a molecular weight of 670.76 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Name4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID172683802
Molecular FormulaC35H33N6O2Ru+
Molecular Weight670.76 g/mol
Exact Mass671.17
IUPAC Name4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCC1(CCCC(=O)[O-])C=CN=C(c2ccccn2)C1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H18N2O2.2C10H8N2.Ru/c1-15(7-4-6-14(18)19)8-10-17-13(11-15)12-5-2-3-9-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,19);2*1-8H;/q;;;+2/p-1
InChIKeyATLAQUAYJZUWKO-UHFFFAOYSA-M
XLogP6.00
TPSA116.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.76
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) with MolForge

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Related Compounds

dimethyl 2-pyridin-2-yl-3H-pyridine-4,4-dicarboxylate
CID 66809803
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
pyrrolo[3,2-b]azepine
CID 66934182
4,4-dibromo-2-pyridin-2-yl-3H-pyridine;iridium;bis(2-phenylpyridine)
CID 175429932
cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
CID 175778611
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
dioxidanium;bis((Z)-but-2-enedioate);nickel;tetrakis(2-pyridin-2-ylpyridine);tridecahydrate
CID 139075709
6-pyridin-2-ylhexanoate
CID 7109691
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605
carbanide;methanolate;platinum(4+);2-pyridin-2-ylpyridine;hydroxide
CID 25150763

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 172683802) is 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is CC1(CCCC(=O)[O-])C=CN=C(c2ccccn2)C1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is ATLAQUAYJZUWKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N2O2.2C10H8N2.Ru/c1-15(7-4-6-14(18)19)8-10-17-13(11-15)12-5-2-3-9-16-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-3,5,8-10H,4,6-7,11H2,1H3,(H,18,19);2*1-8H;/q;;;+2/p-1.
What are the key properties of 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 670.76 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridin-2-yl-3H-pyridin-4-yl)butanoate;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 172683802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).