(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride

C10H15Cl2NPt — CID 171377193

IUPAC(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride
SMILESC/C=C/C.Cc1ccncc1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H7N.C4H8.2ClH.Pt/c1-6-2-4-7-5-3-6;1-3-4-2;;;/h2-5H,1H3;3-4H,1-2H3;2*1H;/q;;;;+2/p-2/b;4-3+;;;
InChIKeyOWGCKWNHYFQDSP-COMVAPIWSA-L
MW415.22 g/mol
LogP-3.02
Rot. Bonds

About (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride

(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride (PubChem CID 171377193) has the molecular formula C10H15Cl2NPt and a molecular weight of 415.22 g/mol. Its IUPAC name is (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride.

Molecular Properties

Compound Name(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride
PubChem CID171377193
Molecular FormulaC10H15Cl2NPt
Molecular Weight415.22 g/mol
Exact Mass414.02
IUPAC Name(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride
SMILESC/C=C/C.Cc1ccncc1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H7N.C4H8.2ClH.Pt/c1-6-2-4-7-5-3-6;1-3-4-2;;;/h2-5H,1H3;3-4H,1-2H3;2*1H;/q;;;;+2/p-2/b;4-3+;;;
InChIKeyOWGCKWNHYFQDSP-COMVAPIWSA-L
XLogP-3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
ethane;4-methylpyridine
CID 54305436
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CID 160730254
deuterium monohydride;4-methylpyridine
CID 175130450
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
formic acid;4-methylpyridine
CID 162172361
isocyanic acid;4-methylpyridine
CID 174958459
4-methylpyridine;sulfuric acid
CID 71383556
4-methylpyridine;thiophene
CID 145224941
acetic acid;iron;tris(4-methylpyridine);hydrate
CID 44661385
bis(4-methylpyridine);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139178587

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride?
The IUPAC name of (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride (CID 171377193) is (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride.
What is the SMILES notation for (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride?
The canonical SMILES for (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride is C/C=C/C.Cc1ccncc1.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride?
The InChIKey is OWGCKWNHYFQDSP-COMVAPIWSA-L. The full InChI is InChI=1S/C6H7N.C4H8.2ClH.Pt/c1-6-2-4-7-5-3-6;1-3-4-2;;;/h2-5H,1H3;3-4H,1-2H3;2*1H;/q;;;;+2/p-2/b;4-3+;;;.
What are the key properties of (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride?
(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride has a molecular weight of 415.22 g/mol, XLogP of -3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride is sourced from PubChem (CID 171377193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).