6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C32H26F12N6OP2Ru — CID 139258423

IUPAC6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccc(-c2ccc(C=O)cn2)nc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H10N2O.2C10H8N2.2F6P.Ru/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h2-8H,1H3;2*1-8H;;;/q;;;2*-1;+2
InChIKeyWFUAEPBQXDTREX-UHFFFAOYSA-N
MW901.59 g/mol
LogP13.31
Rot. Bonds4

About 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139258423) has the molecular formula C32H26F12N6OP2Ru and a molecular weight of 901.59 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID139258423
Molecular FormulaC32H26F12N6OP2Ru
Molecular Weight901.59 g/mol
Exact Mass902.05
IUPAC Name6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCc1ccc(-c2ccc(C=O)cn2)nc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C12H10N2O.2C10H8N2.2F6P.Ru/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h2-8H,1H3;2*1-8H;;;/q;;;2*-1;+2
InChIKeyWFUAEPBQXDTREX-UHFFFAOYSA-N
XLogP13.31
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.59
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CID 10866997
(E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 6481872
(E)-3-[4-[(E)-3-oxo-3-(2-pyridyl)prop-1-enyl]phenyl]-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); tetrahexafluorophosphate
CID 11980897
[2,2':6',2''-Terpyridine]-4'-carbaldehyde
CID 11276986
Terpyridine dialdehyde
CID 140390499
5-Fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 157235483
1-[6-(3,3,4,4,5,6-Hexafluorocyclohexa-1,5-dien-1-yl)-4-methyl-3-pyridinyl]ethanone;pentakis(iridium);5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine;2-(4,4,5,5-tetrafluorocyclohexen-1-yl)pyridine;2-(3,4,5,5-tetrafluorocyclopenta-1,3-dien-1-yl)pyridine;2,2,4,4-tetrafluoro-1-methyl-6-(4-methyl-2-pyridinyl)-3,5-dihydropyridin-5-ide
CID 157330949
2-Chloro-5-fluoropyridine-3-carbaldehyde;2-chloro-6-methylpyridine-3-carbaldehyde;2-chloro-5-phenylpyridine-3-carbaldehyde;2-chloropyridine-3-carbaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde;2,5-dichloropyridine-3-carbaldehyde
CID 160429570
5-Methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 161232529
1,10-Phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 15772851
5,5'-([2,2'-Bipyridine]-5,5'-diylbis(ethane-2,1-diyl))dipicolinaldehyde
CID 53389305
5'-Methyl-[2,2'-bipyridine]-5-carbaldehyde
CID 71339382

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139258423) is 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is Cc1ccc(-c2ccc(C=O)cn2)nc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is WFUAEPBQXDTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.2C10H8N2.2F6P.Ru/c1-9-2-4-11(13-6-9)12-5-3-10(8-15)7-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h2-8H,1H3;2*1-8H;;;/q;;;2*-1;+2.
What are the key properties of 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 901.59 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)pyridine-3-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139258423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).