1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine

C14H13Cl3NPt- — CID 5020039

IUPAC1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine
SMILESC=[C-]c1ccc(Cl)cc1.Cc1ccncc1.Cl[Pt]Cl
InChIInChI=1S/C8H6Cl.C6H7N.2ClH.Pt/c1-2-7-3-5-8(9)6-4-7;1-6-2-4-7-5-3-6;;;/h3-6H,1H2;2-5H,1H3;2*1H;/q-1;;;;+2/p-2
InChIKeyZTNVBCTXJNJRJD-UHFFFAOYSA-L
MW496.70 g/mol
LogP5.44
Rot. Bonds1

About 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine

1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine (PubChem CID 5020039) has the molecular formula C14H13Cl3NPt- and a molecular weight of 496.70 g/mol. Its IUPAC name is 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine.

Molecular Properties

Compound Name1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine
PubChem CID5020039
Molecular FormulaC14H13Cl3NPt-
Molecular Weight496.70 g/mol
Exact Mass494.98
IUPAC Name1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine
SMILESC=[C-]c1ccc(Cl)cc1.Cc1ccncc1.Cl[Pt]Cl
InChIInChI=1S/C8H6Cl.C6H7N.2ClH.Pt/c1-2-7-3-5-8(9)6-4-7;1-6-2-4-7-5-3-6;;;/h3-6H,1H2;2-5H,1H3;2*1H;/q-1;;;;+2/p-2
InChIKeyZTNVBCTXJNJRJD-UHFFFAOYSA-L
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine?
The IUPAC name of 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine (CID 5020039) is 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine.
What is the SMILES notation for 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine?
The canonical SMILES for 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine is C=[C-]c1ccc(Cl)cc1.Cc1ccncc1.Cl[Pt]Cl.
What is the InChIKey of 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine?
The InChIKey is ZTNVBCTXJNJRJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6Cl.C6H7N.2ClH.Pt/c1-2-7-3-5-8(9)6-4-7;1-6-2-4-7-5-3-6;;;/h3-6H,1H2;2-5H,1H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine?
1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine has a molecular weight of 496.70 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenylbenzene;dichloroplatinum;4-methylpyridine is sourced from PubChem (CID 5020039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).