aniline;diiodovanadium;ethane

C8H13I2NV — CID 159503763

IUPACaniline;diiodovanadium;ethane
SMILESCC.I[V]I.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5H,7H2;1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyLZSKIPOTKCGUQC-UHFFFAOYSA-L
MW427.95 g/mol
LogP4.06
Rot. Bonds

About aniline;diiodovanadium;ethane

aniline;diiodovanadium;ethane (PubChem CID 159503763) has the molecular formula C8H13I2NV and a molecular weight of 427.95 g/mol. Its IUPAC name is aniline;diiodovanadium;ethane.

Molecular Properties

Compound Nameaniline;diiodovanadium;ethane
PubChem CID159503763
Molecular FormulaC8H13I2NV
Molecular Weight427.95 g/mol
Exact Mass427.86
IUPAC Nameaniline;diiodovanadium;ethane
SMILESCC.I[V]I.Nc1ccccc1
InChIInChI=1S/C6H7N.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5H,7H2;1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyLZSKIPOTKCGUQC-UHFFFAOYSA-L
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

aniline;benzene;ethane;iodomethane
CID 161231070
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aniline;methanol
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aniline;methylphosphane
CID 142605603
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
aniline;mercury
CID 54604260
aniline;ethane;methoxyphosphane
CID 90767578
aniline;ethane;2-methylprop-1-ene
CID 123218647
magnesium;aniline;carbanide
CID 87207909

Frequently Asked Questions

What is the IUPAC name of aniline;diiodovanadium;ethane?
The IUPAC name of aniline;diiodovanadium;ethane (CID 159503763) is aniline;diiodovanadium;ethane.
What is the SMILES notation for aniline;diiodovanadium;ethane?
The canonical SMILES for aniline;diiodovanadium;ethane is CC.I[V]I.Nc1ccccc1.
What is the InChIKey of aniline;diiodovanadium;ethane?
The InChIKey is LZSKIPOTKCGUQC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7N.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5H,7H2;1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of aniline;diiodovanadium;ethane?
aniline;diiodovanadium;ethane has a molecular weight of 427.95 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;diiodovanadium;ethane is sourced from PubChem (CID 159503763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).