3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium

C28H26N4O5Ru — CID 155727857

IUPAC3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cc1occc(=O)c1O.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O2.C10H8N2.C6H6O3.Ru/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4-6(8)5(7)2-3-9-4;/h3-8H,1-2H3;1-8H;2-3,8H,1H3;
InChIKeyGAPNLGPCAGSHBP-UHFFFAOYSA-N
MW599.61 g/mol
LogP4.96
Rot. Bonds4

About 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium

3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium (PubChem CID 155727857) has the molecular formula C28H26N4O5Ru and a molecular weight of 599.61 g/mol. Its IUPAC name is 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium.

Molecular Properties

Compound Name3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium
PubChem CID155727857
Molecular FormulaC28H26N4O5Ru
Molecular Weight599.61 g/mol
Exact Mass600.09
IUPAC Name3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.Cc1occc(=O)c1O.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H12N2O2.C10H8N2.C6H6O3.Ru/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4-6(8)5(7)2-3-9-4;/h3-8H,1-2H3;1-8H;2-3,8H,1H3;
InChIKeyGAPNLGPCAGSHBP-UHFFFAOYSA-N
XLogP4.96
TPSA120.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium?
The IUPAC name of 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium (CID 155727857) is 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium.
What is the SMILES notation for 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium?
The canonical SMILES for 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium is COc1ccnc(-c2cc(OC)ccn2)c1.Cc1occc(=O)c1O.[Ru].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium?
The InChIKey is GAPNLGPCAGSHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C10H8N2.C6H6O3.Ru/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4-6(8)5(7)2-3-9-4;/h3-8H,1-2H3;1-8H;2-3,8H,1H3;.
What are the key properties of 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium?
3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium has a molecular weight of 599.61 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium is sourced from PubChem (CID 155727857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).