2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)

C16H14ClNO2Pt — CID 57412518

IUPAC2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)
SMILESCC(=O)/C=C(/C)[O-].Clc1c[c-]c(-c2ccccn2)cc1.[Pt+2]
InChIInChI=1S/C11H7ClN.C5H8O2.Pt/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;/h1-4,6-8H;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;
InChIKeyLWRMYVXVRCYGTN-LWFKIUJUSA-M
MW482.82 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)

2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) (PubChem CID 57412518) has the molecular formula C16H14ClNO2Pt and a molecular weight of 482.82 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+).

Molecular Properties

Compound Name2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)
PubChem CID57412518
Molecular FormulaC16H14ClNO2Pt
Molecular Weight482.82 g/mol
Exact Mass482.04
IUPAC Name2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)
SMILESCC(=O)/C=C(/C)[O-].Clc1c[c-]c(-c2ccccn2)cc1.[Pt+2]
InChIInChI=1S/C11H7ClN.C5H8O2.Pt/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;/h1-4,6-8H;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;
InChIKeyLWRMYVXVRCYGTN-LWFKIUJUSA-M
XLogP3.04
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.82
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) with MolForge

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Related Compounds

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bis(2-(4-ethynylbenzene-6-id-1-yl)pyridine);(Z)-4-hydroxypent-3-en-2-one;iridium
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bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)
CID 139144132
azanide;carbanide;iridium;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl 2-acetyloxyacetate
CID 58388416
azanide;carbanide;iridium;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl 2-acetyloxyacetate
CID 58388433
phenyl-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methanone;platinum
CID 59538579
bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)?
The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) (CID 57412518) is 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+).
What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)?
The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) is CC(=O)/C=C(/C)[O-].Clc1c[c-]c(-c2ccccn2)cc1.[Pt+2].
What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)?
The InChIKey is LWRMYVXVRCYGTN-LWFKIUJUSA-M. The full InChI is InChI=1S/C11H7ClN.C5H8O2.Pt/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;/h1-4,6-8H;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;.
What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+)?
2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) has a molecular weight of 482.82 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzene-6-id-1-yl)pyridine;(Z)-4-oxopent-2-en-2-olate;platinum(2+) is sourced from PubChem (CID 57412518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).