chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine

C25H23Cl3N2O2Pt — CID 139044462

IUPACchloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.ClC(Cl)Cl.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H8O.CHCl3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-6-2-4-7(8)5-3-6;2-1(3)4;/h1-8H;2*2-5,8H,1H3;1H;/q;;;;+2/p-2
InChIKeyHZGHMNKRIOVZSU-UHFFFAOYSA-L
MW684.91 g/mol
LogP6.26
Rot. Bonds1

About chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine

chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine (PubChem CID 139044462) has the molecular formula C25H23Cl3N2O2Pt and a molecular weight of 684.91 g/mol. Its IUPAC name is chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namechloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
PubChem CID139044462
Molecular FormulaC25H23Cl3N2O2Pt
Molecular Weight684.91 g/mol
Exact Mass683.05
IUPAC Namechloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.ClC(Cl)Cl.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C7H8O.CHCl3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-6-2-4-7(8)5-3-6;2-1(3)4;/h1-8H;2*2-5,8H,1H3;1H;/q;;;;+2/p-2
InChIKeyHZGHMNKRIOVZSU-UHFFFAOYSA-L
XLogP6.26
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.91
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
4-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091039
Beryllium;2-pyridin-2-ylphenolate
CID 100943966
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214
4-[2-[2-(4-Methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenol
CID 136659643
4-(4-Methoxyphenyl)-2-[4-(4-methoxyphenyl)-2-pyridinyl]pyridine
CID 86206136
2-[2-(4-Hydroxyphenyl)ethyl]-6,7-bis(pyridin-2-ylmethylimino)benzo[de]isoquinoline-1,3-diol
CID 136490211
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
Naphthalene-2,3-diolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139059130
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
3,5-Ditert-butylbenzene-1,2-diolate;platinum(2+);2-pyridin-2-ylpyridine
CID 139132626
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;oxolane;platinum(2+);diphenoxide
CID 139135668

Frequently Asked Questions

What is the IUPAC name of chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine?
The IUPAC name of chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine (CID 139044462) is chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine.
What is the SMILES notation for chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine?
The canonical SMILES for chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine is Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.ClC(Cl)Cl.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine?
The InChIKey is HZGHMNKRIOVZSU-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C7H8O.CHCl3.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-6-2-4-7(8)5-3-6;2-1(3)4;/h1-8H;2*2-5,8H,1H3;1H;/q;;;;+2/p-2.
What are the key properties of chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine?
chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine has a molecular weight of 684.91 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;bis(4-methylphenolate);platinum(2+);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139044462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).