hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile

C8HCl4N2+ — CID 87707146

IUPAChydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
SMILESN#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl.[H+]
InChIInChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/p+1
InChIKeyCRQQGFGUEAVUIL-UHFFFAOYSA-O
MW266.92 g/mol
LogP4.16
Rot. Bonds

About hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile

hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile (PubChem CID 87707146) has the molecular formula C8HCl4N2+ and a molecular weight of 266.92 g/mol. Its IUPAC name is hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Namehydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
PubChem CID87707146
Molecular FormulaC8HCl4N2+
Molecular Weight266.92 g/mol
Exact Mass264.89
IUPAC Namehydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
SMILESN#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl.[H+]
InChIInChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/p+1
InChIKeyCRQQGFGUEAVUIL-UHFFFAOYSA-O
XLogP4.16
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile?
The IUPAC name of hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile (CID 87707146) is hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile.
What is the SMILES notation for hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile?
The canonical SMILES for hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile is N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl.[H+].
What is the InChIKey of hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile?
The InChIKey is CRQQGFGUEAVUIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14/p+1.
What are the key properties of hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile?
hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile has a molecular weight of 266.92 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 87707146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).