1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride

C23H21ClN2O2Ru+3 — CID 135581739

IUPAC1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride
SMILESCc1ccc(O)c(-c2ncccc2O)n1.Cl.[Ru+3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H10N2O2.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-4-5-9(15)11(13-7)10-8(14)3-2-6-12-10;;/h1-10H;2-6,14-15H,1H3;1H;/q;;;+3
InChIKeyYHVUBEKCYPTYAM-UHFFFAOYSA-N
MW493.96 g/mol
LogP5.64
Rot. Bonds2

About 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride

1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride (PubChem CID 135581739) has the molecular formula C23H21ClN2O2Ru+3 and a molecular weight of 493.96 g/mol. Its IUPAC name is 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride.

Molecular Properties

Compound Name1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride
PubChem CID135581739
Molecular FormulaC23H21ClN2O2Ru+3
Molecular Weight493.96 g/mol
Exact Mass494.03
IUPAC Name1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride
SMILESCc1ccc(O)c(-c2ncccc2O)n1.Cl.[Ru+3].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H10N2O2.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-4-5-9(15)11(13-7)10-8(14)3-2-6-12-10;;/h1-10H;2-6,14-15H,1H3;1H;/q;;;+3
InChIKeyYHVUBEKCYPTYAM-UHFFFAOYSA-N
XLogP5.64
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.96
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride?
The IUPAC name of 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride (CID 135581739) is 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride.
What is the SMILES notation for 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride?
The canonical SMILES for 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride is Cc1ccc(O)c(-c2ncccc2O)n1.Cl.[Ru+3].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride?
The InChIKey is YHVUBEKCYPTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H10N2O2.ClH.Ru/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-4-5-9(15)11(13-7)10-8(14)3-2-6-12-10;;/h1-10H;2-6,14-15H,1H3;1H;/q;;;+3.
What are the key properties of 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride?
1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride has a molecular weight of 493.96 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-(3-hydroxy-2-pyridinyl)-6-methylpyridin-3-ol;ruthenium(3+);hydrochloride is sourced from PubChem (CID 135581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).