4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile

C10H6Cl2N2O2 — CID 14150484

IUPAC4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile
SMILESCOc1c(Cl)c(Cl)c(OC)c(C#N)c1C#N
InChIInChI=1S/C10H6Cl2N2O2/c1-15-9-5(3-13)6(4-14)10(16-2)8(12)7(9)11/h1-2H3
InChIKeyVSSYUYRLOZVIDZ-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.75
Rot. Bonds2

About 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile

4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile (PubChem CID 14150484) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile
PubChem CID14150484
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile
SMILESCOc1c(Cl)c(Cl)c(OC)c(C#N)c1C#N
InChIInChI=1S/C10H6Cl2N2O2/c1-15-9-5(3-13)6(4-14)10(16-2)8(12)7(9)11/h1-2H3
InChIKeyVSSYUYRLOZVIDZ-UHFFFAOYSA-N
XLogP2.75
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile (CID 14150484) is 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile is COc1c(Cl)c(Cl)c(OC)c(C#N)c1C#N.
What is the InChIKey of 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile?
The InChIKey is VSSYUYRLOZVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c1-15-9-5(3-13)6(4-14)10(16-2)8(12)7(9)11/h1-2H3.
What are the key properties of 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile?
4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile has a molecular weight of 257.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3,6-dimethoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 14150484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).