5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile

C12H4Cl2N4O — CID 70572741

IUPAC5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C#N
InChIInChI=1S/C12H4Cl2N4O/c13-7-2-1-6(3-8(7)14)11-12(19)18-10(5-16)9(4-15)17-11/h1-3H,(H,18,19)
InChIKeyRHYRJZWLZDILTL-UHFFFAOYSA-N
MW291.10 g/mol
LogP2.49
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile

5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile (PubChem CID 70572741) has the molecular formula C12H4Cl2N4O and a molecular weight of 291.10 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile
PubChem CID70572741
Molecular FormulaC12H4Cl2N4O
Molecular Weight291.10 g/mol
Exact Mass289.98
IUPAC Name5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C#N
InChIInChI=1S/C12H4Cl2N4O/c13-7-2-1-6(3-8(7)14)11-12(19)18-10(5-16)9(4-15)17-11/h1-3H,(H,18,19)
InChIKeyRHYRJZWLZDILTL-UHFFFAOYSA-N
XLogP2.49
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile (CID 70572741) is 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile is N#Cc1nc(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1C#N.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile?
The InChIKey is RHYRJZWLZDILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2N4O/c13-7-2-1-6(3-8(7)14)11-12(19)18-10(5-16)9(4-15)17-11/h1-3H,(H,18,19).
What are the key properties of 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile?
5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile has a molecular weight of 291.10 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-oxo-1H-pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 70572741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).