bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene

C19H16BrF3N2NiO2- — CID 166449619

IUPACbromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1cc[c-]cc1.[Ni]Br
InChIInChI=1S/C12H12N2O2.C7H4F3.BrH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;8-7(9,10)6-4-2-1-3-5-6;;/h3-8H,1-2H3;2-5H;1H;/q;-1;;+1/p-1
InChIKeyGQBZEAPDKCWEEI-UHFFFAOYSA-M
MW499.94 g/mol
LogP5.51
Rot. Bonds3

About bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene

bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene (PubChem CID 166449619) has the molecular formula C19H16BrF3N2NiO2- and a molecular weight of 499.94 g/mol. Its IUPAC name is bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene.

Molecular Properties

Compound Namebromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene
PubChem CID166449619
Molecular FormulaC19H16BrF3N2NiO2-
Molecular Weight499.94 g/mol
Exact Mass497.97
IUPAC Namebromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene
SMILESCOc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1cc[c-]cc1.[Ni]Br
InChIInChI=1S/C12H12N2O2.C7H4F3.BrH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;8-7(9,10)6-4-2-1-3-5-6;;/h3-8H,1-2H3;2-5H;1H;/q;-1;;+1/p-1
InChIKeyGQBZEAPDKCWEEI-UHFFFAOYSA-M
XLogP5.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Caerulomycin A
CID 135514797
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycinonitrile
CID 13586798
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
CID 156580852
Xofivgpuxalvcn-uhfffaoysa-
CID 11077609
4,4'-dimethoxy-2,2'-bipyridine nickel (II) chloride
CID 24878702
4'-((4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)oxy)-2,2':6',2''-terpyridine
CID 172011955
Acetic acid;1,3-bis(trifluoromethyl)benzene-2-ide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;nickel
CID 176431492
4-Methoxy-6-(pyridin-2-yl)-2,2'-bipyridine
CID 10825438

Frequently Asked Questions

What is the IUPAC name of bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene?
The IUPAC name of bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene (CID 166449619) is bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene.
What is the SMILES notation for bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene?
The canonical SMILES for bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene is COc1ccnc(-c2cc(OC)ccn2)c1.FC(F)(F)c1cc[c-]cc1.[Ni]Br.
What is the InChIKey of bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene?
The InChIKey is GQBZEAPDKCWEEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O2.C7H4F3.BrH.Ni/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;8-7(9,10)6-4-2-1-3-5-6;;/h3-8H,1-2H3;2-5H;1H;/q;-1;;+1/p-1.
What are the key properties of bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene?
bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene has a molecular weight of 499.94 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromonickel;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;trifluoromethylbenzene is sourced from PubChem (CID 166449619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).