pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium

C26H21N5O2Ru — CID 20805464

IUPACpyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(O)c1ccccn1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5NO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;/h2*1-8H;1-4H,(H,8,9);
InChIKeyGNGGVJCNDQPDGP-UHFFFAOYSA-N
MW536.56 g/mol
LogP5.06
Rot. Bonds3

About pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium

pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 20805464) has the molecular formula C26H21N5O2Ru and a molecular weight of 536.56 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Namepyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID20805464
Molecular FormulaC26H21N5O2Ru
Molecular Weight536.56 g/mol
Exact Mass537.07
IUPAC Namepyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(O)c1ccccn1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H5NO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;/h2*1-8H;1-4H,(H,8,9);
InChIKeyGNGGVJCNDQPDGP-UHFFFAOYSA-N
XLogP5.06
TPSA101.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
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Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium (CID 20805464) is pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium is O=C(O)c1ccccn1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is GNGGVJCNDQPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H5NO2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8-6(9)5-3-1-2-4-7-5;/h2*1-8H;1-4H,(H,8,9);.
What are the key properties of pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium?
pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 536.56 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 20805464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).