sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium

C29H30N4NaO6Ru- — CID 20609466

IUPACsodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Na+].[Ru]
InChIInChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Na.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;;/q;;;+1;/p-2
InChIKeySQADBKMIRXVEHG-UHFFFAOYSA-L
MW654.64 g/mol
LogP-1.23
Rot. Bonds6

About sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium

sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium (PubChem CID 20609466) has the molecular formula C29H30N4NaO6Ru- and a molecular weight of 654.64 g/mol. Its IUPAC name is sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium.

Molecular Properties

Compound Namesodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
PubChem CID20609466
Molecular FormulaC29H30N4NaO6Ru-
Molecular Weight654.64 g/mol
Exact Mass655.11
IUPAC Namesodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
SMILESCC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Na+].[Ru]
InChIInChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Na.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;;/q;;;+1;/p-2
InChIKeySQADBKMIRXVEHG-UHFFFAOYSA-L
XLogP-1.23
TPSA172.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.64
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
CID 174186060
(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
CID 86336472
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
CID 22938063
1,3-di(anthracen-9-yl)propan-2-yl 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylate
CID 101172477
lithium 3-[(4-methyl-2-pyridinyl)amino]benzoate
CID 178157804
2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid
CID 101231811
gallium tris(3-methylbenzoate)
CID 22604030
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105

Frequently Asked Questions

What is the IUPAC name of sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The IUPAC name of sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium (CID 20609466) is sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium.
What is the SMILES notation for sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The canonical SMILES for sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium is CC(O)CC(C)O.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Na+].[Ru].
What is the InChIKey of sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
The InChIKey is SQADBKMIRXVEHG-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.C12H12N2.C5H12O2.Na.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-4(6)3-5(2)7;;/h1-6H,(H,15,16)(H,17,18);3-8H,1-2H3;4-7H,3H2,1-2H3;;/q;;;+1;/p-2.
What are the key properties of sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium?
sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium has a molecular weight of 654.64 g/mol, XLogP of -1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium is sourced from PubChem (CID 20609466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).