bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

C17H13BrN2Pt — CID 58637296

IUPACbromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESBr[Pt+].Cc1ccc(-c2[c-]c(-c3ccccn3)ccc2)nc1
InChIInChI=1S/C17H13N2.BrH.Pt/c1-13-8-9-17(19-12-13)15-6-4-5-14(11-15)16-7-2-3-10-18-16;;/h2-10,12H,1H3;1H;/q-1;;+2/p-1
InChIKeyOPRGQRIIWUOUGR-UHFFFAOYSA-M
MW520.29 g/mol
LogP4.76
Rot. Bonds2

About bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine

bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (PubChem CID 58637296) has the molecular formula C17H13BrN2Pt and a molecular weight of 520.29 g/mol. Its IUPAC name is bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.

Molecular Properties

Compound Namebromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
PubChem CID58637296
Molecular FormulaC17H13BrN2Pt
Molecular Weight520.29 g/mol
Exact Mass518.99
IUPAC Namebromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
SMILESBr[Pt+].Cc1ccc(-c2[c-]c(-c3ccccn3)ccc2)nc1
InChIInChI=1S/C17H13N2.BrH.Pt/c1-13-8-9-17(19-12-13)15-6-4-5-14(11-15)16-7-2-3-10-18-16;;/h2-10,12H,1H3;1H;/q-1;;+2/p-1
InChIKeyOPRGQRIIWUOUGR-UHFFFAOYSA-M
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
CID 163409812
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
anisole;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 157414617
3-methyl-6-(5-methyl-2-pyridinyl)-2-pyridin-2-ylpyridine
CID 101109950
iridium;5-methyl-2-phenylpyridine;2-[3-(1-phenylethyl)benzene-6-id-1-yl]pyridine
CID 162710156
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
ethynylbenzene;platinum(2+);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 21024826
iridium;5-methyl-2-phenylpyridine;6-pyridin-2-ylpyrimidin-1-ide-2,4-dione
CID 171434089

Frequently Asked Questions

What is the IUPAC name of bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The IUPAC name of bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine (CID 58637296) is bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine.
What is the SMILES notation for bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The canonical SMILES for bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is Br[Pt+].Cc1ccc(-c2[c-]c(-c3ccccn3)ccc2)nc1.
What is the InChIKey of bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
The InChIKey is OPRGQRIIWUOUGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N2.BrH.Pt/c1-13-8-9-17(19-12-13)15-6-4-5-14(11-15)16-7-2-3-10-18-16;;/h2-10,12H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine?
bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine has a molecular weight of 520.29 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum(1+);5-methyl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine is sourced from PubChem (CID 58637296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).