bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)

C36H27N6O2Ru+ — CID 139251002

IUPACbis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)
SMILESO=C(O)c1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H12N2O2.2C10H8N2.Ru/c19-16(20)12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H2,17,18,19,20);2*1-8H;/q;;;+2/p-1
InChIKeyHZFHRVRXMJJNBX-UHFFFAOYSA-M
MW676.72 g/mol
LogP7.03
Rot. Bonds5

About bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)

bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+) (PubChem CID 139251002) has the molecular formula C36H27N6O2Ru+ and a molecular weight of 676.72 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+).

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)
PubChem CID139251002
Molecular FormulaC36H27N6O2Ru+
Molecular Weight676.72 g/mol
Exact Mass677.12
IUPAC Namebis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)
SMILESO=C(O)c1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H12N2O2.2C10H8N2.Ru/c19-16(20)12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H2,17,18,19,20);2*1-8H;/q;;;+2/p-1
InChIKeyHZFHRVRXMJJNBX-UHFFFAOYSA-M
XLogP7.03
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.72
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)?
The IUPAC name of bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+) (CID 139251002) is bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+).
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+) is O=C(O)c1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)?
The InChIKey is HZFHRVRXMJJNBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2O2.2C10H8N2.Ru/c19-16(20)12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H2,17,18,19,20);2*1-8H;/q;;;+2/p-1.
What are the key properties of bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+)?
bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+) has a molecular weight of 676.72 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzoic acid;ruthenium(2+) is sourced from PubChem (CID 139251002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).