dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid

C24H22Cl2N4O2Ru — CID 140718230

IUPACdichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
SMILESCl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H14N2O2.C10H8N2.2ClH.Ru/c17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-2,5,7-10H,3-4,6H2,(H,17,18);1-8H;2*1H;/q;;;;+2/p-2
InChIKeyYXBCLVSTAATBCT-UHFFFAOYSA-L
MW570.44 g/mol
LogP6.07
Rot. Bonds6

About dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid

dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid (PubChem CID 140718230) has the molecular formula C24H22Cl2N4O2Ru and a molecular weight of 570.44 g/mol. Its IUPAC name is dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid.

Molecular Properties

Compound Namedichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
PubChem CID140718230
Molecular FormulaC24H22Cl2N4O2Ru
Molecular Weight570.44 g/mol
Exact Mass570.02
IUPAC Namedichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
SMILESCl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H14N2O2.C10H8N2.2ClH.Ru/c17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-2,5,7-10H,3-4,6H2,(H,17,18);1-8H;2*1H;/q;;;;+2/p-2
InChIKeyYXBCLVSTAATBCT-UHFFFAOYSA-L
XLogP6.07
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.44
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
CID 161329789
trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
CID 162238835
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
CID 101021022
dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
CID 173206951
4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
CID 177401230
3-[2-[4-(dimethylamino)-2-pyridinyl]-4-pyridinyl]propanoic acid
CID 170630375
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid?
The IUPAC name of dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid (CID 140718230) is dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid.
What is the SMILES notation for dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid?
The canonical SMILES for dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid is Cl[Ru]Cl.O=C(O)CCCc1ccnc(-c2ccccn2)c1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid?
The InChIKey is YXBCLVSTAATBCT-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14N2O2.C10H8N2.2ClH.Ru/c17-14(18)6-3-4-11-7-9-16-13(10-11)12-5-1-2-8-15-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-2,5,7-10H,3-4,6H2,(H,17,18);1-8H;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid?
dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid has a molecular weight of 570.44 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid is sourced from PubChem (CID 140718230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).