cesium 2,6-dipyridin-2-ylphenolate

C16H11CsN2O — CID 59522981

IUPACcesium 2,6-dipyridin-2-ylphenolate
SMILES[Cs+].[O-]c1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H12N2O.Cs/c19-16-12(14-8-1-3-10-17-14)6-5-7-13(16)15-9-2-4-11-18-15;/h1-11,19H;/q;+1/p-1
InChIKeyFCDJOZCHSSLSRL-UHFFFAOYSA-M
MW380.18 g/mol
LogP-0.11
Rot. Bonds2

About cesium 2,6-dipyridin-2-ylphenolate

cesium 2,6-dipyridin-2-ylphenolate (PubChem CID 59522981) has the molecular formula C16H11CsN2O and a molecular weight of 380.18 g/mol. Its IUPAC name is cesium 2,6-dipyridin-2-ylphenolate.

Molecular Properties

Compound Namecesium 2,6-dipyridin-2-ylphenolate
PubChem CID59522981
Molecular FormulaC16H11CsN2O
Molecular Weight380.18 g/mol
Exact Mass379.99
IUPAC Namecesium 2,6-dipyridin-2-ylphenolate
SMILES[Cs+].[O-]c1c(-c2ccccn2)cccc1-c1ccccn1
InChIInChI=1S/C16H12N2O.Cs/c19-16-12(14-8-1-3-10-17-14)6-5-7-13(16)15-9-2-4-11-18-15;/h1-11,19H;/q;+1/p-1
InChIKeyFCDJOZCHSSLSRL-UHFFFAOYSA-M
XLogP-0.11
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyridin-2-yl-2-pyridinyl)pyrimidine
CID 175779710
2,6-bis(2-pyridin-2-ylphenyl)phenol
CID 175876654
2-(2-methylphenyl)pyridine
CID 144596153
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
8-pyridin-2-ylquinoline
CID 10982041
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of cesium 2,6-dipyridin-2-ylphenolate?
The IUPAC name of cesium 2,6-dipyridin-2-ylphenolate (CID 59522981) is cesium 2,6-dipyridin-2-ylphenolate.
What is the SMILES notation for cesium 2,6-dipyridin-2-ylphenolate?
The canonical SMILES for cesium 2,6-dipyridin-2-ylphenolate is [Cs+].[O-]c1c(-c2ccccn2)cccc1-c1ccccn1.
What is the InChIKey of cesium 2,6-dipyridin-2-ylphenolate?
The InChIKey is FCDJOZCHSSLSRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2O.Cs/c19-16-12(14-8-1-3-10-17-14)6-5-7-13(16)15-9-2-4-11-18-15;/h1-11,19H;/q;+1/p-1.
What are the key properties of cesium 2,6-dipyridin-2-ylphenolate?
cesium 2,6-dipyridin-2-ylphenolate has a molecular weight of 380.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2,6-dipyridin-2-ylphenolate is sourced from PubChem (CID 59522981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).