azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile

C9H12Cl2N2OPt — CID 87598174

IUPACazane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
SMILESCOc1ccccc1CC#N.Cl[Pt]Cl.N
InChIInChI=1S/C9H9NO.2ClH.H3N.Pt/c1-11-9-5-3-2-4-8(9)6-7-10;;;;/h2-5H,6H2,1H3;2*1H;1H3;/q;;;;+2/p-2
InChIKeyCMBVUMMTRQAQDC-UHFFFAOYSA-L
MW430.19 g/mol
LogP3.30
Rot. Bonds2

About azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile

azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile (PubChem CID 87598174) has the molecular formula C9H12Cl2N2OPt and a molecular weight of 430.19 g/mol. Its IUPAC name is azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Nameazane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
PubChem CID87598174
Molecular FormulaC9H12Cl2N2OPt
Molecular Weight430.19 g/mol
Exact Mass429.00
IUPAC Nameazane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
SMILESCOc1ccccc1CC#N.Cl[Pt]Cl.N
InChIInChI=1S/C9H9NO.2ClH.H3N.Pt/c1-11-9-5-3-2-4-8(9)6-7-10;;;;/h2-5H,6H2,1H3;2*1H;1H3;/q;;;;+2/p-2
InChIKeyCMBVUMMTRQAQDC-UHFFFAOYSA-L
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
CID 159199429
2-(2-pentoxyphenyl)acetonitrile
CID 19869712
2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857
(2-methoxyphenyl)methyl selenocyanate
CID 10331260
1-hexa-2,4-diynyl-2-methoxybenzene
CID 5319414
3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032
[2-(cyanomethyl)phenyl] ethyl carbonate
CID 165430803
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
CID 82503447
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415

Frequently Asked Questions

What is the IUPAC name of azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile?
The IUPAC name of azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile (CID 87598174) is azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile.
What is the SMILES notation for azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile?
The canonical SMILES for azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile is COc1ccccc1CC#N.Cl[Pt]Cl.N.
What is the InChIKey of azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile?
The InChIKey is CMBVUMMTRQAQDC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H9NO.2ClH.H3N.Pt/c1-11-9-5-3-2-4-8(9)6-7-10;;;;/h2-5H,6H2,1H3;2*1H;1H3;/q;;;;+2/p-2.
What are the key properties of azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile?
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile has a molecular weight of 430.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 87598174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).