chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine

C17H10ClF3N2Pt — CID 21024810

IUPACchloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
SMILESCl[Pt+].FC(F)(F)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1
InChIInChI=1S/C17H10F3N2.ClH.Pt/c18-17(19,20)14-10-12(15-5-1-3-7-21-15)9-13(11-14)16-6-2-4-8-22-16;;/h1-8,10-11H;1H;/q-1;;+2/p-1
InChIKeyVUZANNOSXATIBD-UHFFFAOYSA-M
MW529.81 g/mol
LogP5.32
Rot. Bonds2

About chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine

chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine (PubChem CID 21024810) has the molecular formula C17H10ClF3N2Pt and a molecular weight of 529.81 g/mol. Its IUPAC name is chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine.

Molecular Properties

Compound Namechloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
PubChem CID21024810
Molecular FormulaC17H10ClF3N2Pt
Molecular Weight529.81 g/mol
Exact Mass529.01
IUPAC Namechloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
SMILESCl[Pt+].FC(F)(F)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1
InChIInChI=1S/C17H10F3N2.ClH.Pt/c18-17(19,20)14-10-12(15-5-1-3-7-21-15)9-13(11-14)16-6-2-4-8-22-16;;/h1-8,10-11H;1H;/q-1;;+2/p-1
InChIKeyVUZANNOSXATIBD-UHFFFAOYSA-M
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.81
LogP ≤ 55.32
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

2,2'-Ethylenedipyridine
CID 222708
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
2,2'-Propane-1,3-diyldipyridine
CID 322131
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
Iridium;tris(2-phenylpyridine)
CID 23386734
Dichlorotetrakis(2-(2-pyridinyl)phenyl)diiridium(III)
CID 60043027
2,2'-Bipyridine; ((trifluoromethyl)sulfanyl)copper
CID 155885012
6-(Trifluoromethyl)-2,2'-bipyridine
CID 72771068
Pyridine, 2-fluoro-6-(2-pyridinylmethyl)-
CID 11309977
4-Pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 152528155
chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)
CID 4319701
3-(Trifluoromethyl)indolizine
CID 134834371

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The IUPAC name of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine (CID 21024810) is chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine.
What is the SMILES notation for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The canonical SMILES for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine is Cl[Pt+].FC(F)(F)c1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.
What is the InChIKey of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The InChIKey is VUZANNOSXATIBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H10F3N2.ClH.Pt/c18-17(19,20)14-10-12(15-5-1-3-7-21-15)9-13(11-14)16-6-2-4-8-22-16;;/h1-8,10-11H;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine has a molecular weight of 529.81 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);2-[3-pyridin-2-yl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine is sourced from PubChem (CID 21024810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).