2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C31H21F3N7O4Ru — CID 58510475

IUPAC2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.C10H8N2.C9H5F3N3.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-6H,(H,15,16)(H,17,18);1-8H;1-5H;/q;;-1;+1
InChIKeyDNHGKDMXCLSHLC-UHFFFAOYSA-N
MW713.62 g/mol
LogP5.80
Rot. Bonds5

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 58510475) has the molecular formula C31H21F3N7O4Ru and a molecular weight of 713.62 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID58510475
Molecular FormulaC31H21F3N7O4Ru
Molecular Weight713.62 g/mol
Exact Mass714.07
IUPAC Name2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H8N2O4.C10H8N2.C9H5F3N3.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-6H,(H,15,16)(H,17,18);1-8H;1-5H;/q;;-1;+1
InChIKeyDNHGKDMXCLSHLC-UHFFFAOYSA-N
XLogP5.80
TPSA166.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.62
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 58510475) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is DNHGKDMXCLSHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C10H8N2.C9H5F3N3.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-6H,(H,15,16)(H,17,18);1-8H;1-5H;/q;;-1;+1.
What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 713.62 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 58510475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).