chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine

C16H14ClN3OPt — CID 58130253

IUPACchloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine
SMILESCc1cc(C)n(-c2[c-]c(Oc3ccccn3)ccc2)n1.Cl[Pt+]
InChIInChI=1S/C16H14N3O.ClH.Pt/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16;;/h3-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFCTNOTNFMDIHDL-UHFFFAOYSA-M
MW494.84 g/mol
LogP4.16
Rot. Bonds3

About chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine

chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine (PubChem CID 58130253) has the molecular formula C16H14ClN3OPt and a molecular weight of 494.84 g/mol. Its IUPAC name is chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine.

Molecular Properties

Compound Namechloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine
PubChem CID58130253
Molecular FormulaC16H14ClN3OPt
Molecular Weight494.84 g/mol
Exact Mass494.05
IUPAC Namechloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine
SMILESCc1cc(C)n(-c2[c-]c(Oc3ccccn3)ccc2)n1.Cl[Pt+]
InChIInChI=1S/C16H14N3O.ClH.Pt/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16;;/h3-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFCTNOTNFMDIHDL-UHFFFAOYSA-M
XLogP4.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyridine
CID 22506548
5-Fluoro-2-[(1-methyl-1H-pyrazol-5-yl)methoxy]pyridine
CID 86684889
2-[[5-(Difluoromethyl)-1-methylpyrazol-3-yl]methoxy]pyridine
CID 170565965
4-(2,5-Dimethylpyrazol-3-yl)oxy-2-fluoropyridine
CID 104031161
3-Fluoro-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyridine
CID 136537175
2-[1-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]oxy-3-fluoropyridine
CID 136537180
2-[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine
CID 136537304
3-Fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine
CID 146126926
2-fluoro-6-({1-[(1-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}oxy)pyridine
CID 172892945
2-[3-(3,5-Dimethylpyrazol-1-yl)phenoxy]pyridine
CID 58130254
2-(Phenoxy)-6-[2-(3-pyrazol-1-ylbenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
CID 58709013
2-(Phenoxy)-6-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;platinum(2+)
CID 58870978

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine?
The IUPAC name of chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine (CID 58130253) is chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine.
What is the SMILES notation for chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine?
The canonical SMILES for chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine is Cc1cc(C)n(-c2[c-]c(Oc3ccccn3)ccc2)n1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine?
The InChIKey is FCTNOTNFMDIHDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N3O.ClH.Pt/c1-12-10-13(2)19(18-12)14-6-5-7-15(11-14)20-16-8-3-4-9-17-16;;/h3-10H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine?
chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine has a molecular weight of 494.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 58130253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).