aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury

C19H25CdHgN2O7 — CID 172865217

IUPACaniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].NC=O.Nc1ccccc1.[Cd+2].[Hg]c1ccccc1
InChIInChI=1S/C6H7N.C6H5.2C3H6O3.CH3NO.Cd.Hg/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2(4)3(5)6;2-1-3;;/h1-5H,7H2;1-5H;2*2,4H,1H3,(H,5,6);1H,(H2,2,3);;/q;;;;;+2;/p-2
InChIKeyZWZIUDZUECRZRG-UHFFFAOYSA-L
MW706.42 g/mol
LogP-2.54
Rot. Bonds2

About aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury

aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury (PubChem CID 172865217) has the molecular formula C19H25CdHgN2O7 and a molecular weight of 706.42 g/mol. Its IUPAC name is aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury.

Molecular Properties

Compound Nameaniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury
PubChem CID172865217
Molecular FormulaC19H25CdHgN2O7
Molecular Weight706.42 g/mol
Exact Mass709.04
IUPAC Nameaniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].NC=O.Nc1ccccc1.[Cd+2].[Hg]c1ccccc1
InChIInChI=1S/C6H7N.C6H5.2C3H6O3.CH3NO.Cd.Hg/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2(4)3(5)6;2-1-3;;/h1-5H,7H2;1-5H;2*2,4H,1H3,(H,5,6);1H,(H2,2,3);;/q;;;;;+2;/p-2
InChIKeyZWZIUDZUECRZRG-UHFFFAOYSA-L
XLogP-2.54
TPSA189.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.42
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanoate;phenylmercury(1+)
CID 67544272
azane;ethyl 2-hydroxypropanoate;phenylmercury
CID 174333864
dialuminum;tris(2-hydroxypropanoate);tribenzoate
CID 70022371
2-aminoethyl 2-hydroxypropanoate;azane;phenylmercury
CID 174297430
phenylmercury;urea
CID 70460318
aniline;2-hydroxy-2-methoxyacetic acid
CID 175587948
2-hydroxypropanoate;(E)-3-phenylprop-2-enoate
CID 21183403
aniline;propan-2-amine
CID 142091845
aniline;ethane;2-methylpropane
CID 158321840
aniline;dichloro (Z)-but-2-enedioate
CID 174895369
aniline;3-methylbutanal
CID 88664127
2-(3-aminophenyl)propanoate
CID 71650577

Frequently Asked Questions

What is the IUPAC name of aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury?
The IUPAC name of aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury (CID 172865217) is aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury.
What is the SMILES notation for aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury?
The canonical SMILES for aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury is CC(O)C(=O)[O-].CC(O)C(=O)[O-].NC=O.Nc1ccccc1.[Cd+2].[Hg]c1ccccc1.
What is the InChIKey of aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury?
The InChIKey is ZWZIUDZUECRZRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7N.C6H5.2C3H6O3.CH3NO.Cd.Hg/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2(4)3(5)6;2-1-3;;/h1-5H,7H2;1-5H;2*2,4H,1H3,(H,5,6);1H,(H2,2,3);;/q;;;;;+2;/p-2.
What are the key properties of aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury?
aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury has a molecular weight of 706.42 g/mol, XLogP of -2.54, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cadmium(2+);formamide;bis(2-hydroxypropanoate);phenylmercury is sourced from PubChem (CID 172865217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).