isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium

C20H15N3O2Ru — CID 59015426

IUPACisoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium
SMILESO=C(O)c1nccc2ccccc12.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H7NO2.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-8H;1-6H,(H,12,13);
InChIKeyFXBGGSGHTHZXGH-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.07
Rot. Bonds2

About isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium

isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium (PubChem CID 59015426) has the molecular formula C20H15N3O2Ru and a molecular weight of 430.43 g/mol. Its IUPAC name is isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium.

Molecular Properties

Compound Nameisoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium
PubChem CID59015426
Molecular FormulaC20H15N3O2Ru
Molecular Weight430.43 g/mol
Exact Mass431.02
IUPAC Nameisoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium
SMILESO=C(O)c1nccc2ccccc12.[Ru].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H7NO2.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-8H;1-6H,(H,12,13);
InChIKeyFXBGGSGHTHZXGH-UHFFFAOYSA-N
XLogP4.07
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium?
The IUPAC name of isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium (CID 59015426) is isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium.
What is the SMILES notation for isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium?
The canonical SMILES for isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium is O=C(O)c1nccc2ccccc12.[Ru].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium?
The InChIKey is FXBGGSGHTHZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C10H7NO2.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-8H;1-6H,(H,12,13);.
What are the key properties of isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium?
isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium has a molecular weight of 430.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline-1-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium is sourced from PubChem (CID 59015426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).