5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile

C12H6N4 — CID 58543750

IUPAC5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile
SMILESCc1c(C)c(C#N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C12H6N4/c1-7-8(2)10(4-14)12(6-16)11(5-15)9(7)3-13/h1-2H3
InChIKeyQMFWGJFDSGDTRI-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.79
Rot. Bonds

About 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile

5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile (PubChem CID 58543750) has the molecular formula C12H6N4 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Name5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile
PubChem CID58543750
Molecular FormulaC12H6N4
Molecular Weight206.21 g/mol
Exact Mass206.06
IUPAC Name5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile
SMILESCc1c(C)c(C#N)c(C#N)c(C#N)c1C#N
InChIInChI=1S/C12H6N4/c1-7-8(2)10(4-14)12(6-16)11(5-15)9(7)3-13/h1-2H3
InChIKeyQMFWGJFDSGDTRI-UHFFFAOYSA-N
XLogP1.79
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile?
The IUPAC name of 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile (CID 58543750) is 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile?
The canonical SMILES for 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile is Cc1c(C)c(C#N)c(C#N)c(C#N)c1C#N.
What is the InChIKey of 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile?
The InChIKey is QMFWGJFDSGDTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4/c1-7-8(2)10(4-14)12(6-16)11(5-15)9(7)3-13/h1-2H3.
What are the key properties of 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile?
5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile has a molecular weight of 206.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylbenzene-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 58543750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).