5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile

C18H8Cl2N4 — CID 132588447

IUPAC5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C18H8Cl2N4/c19-13-7-3-1-5-11(13)17-18(12-6-2-4-8-14(12)20)24-16(10-22)15(9-21)23-17/h1-8H
InChIKeyMJIXAVLNFHSWOJ-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.86
Rot. Bonds2

About 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile

5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile (PubChem CID 132588447) has the molecular formula C18H8Cl2N4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
PubChem CID132588447
Molecular FormulaC18H8Cl2N4
Molecular Weight351.20 g/mol
Exact Mass350.01
IUPAC Name5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C18H8Cl2N4/c19-13-7-3-1-5-11(13)17-18(12-6-2-4-8-14(12)20)24-16(10-22)15(9-21)23-17/h1-8H
InChIKeyMJIXAVLNFHSWOJ-UHFFFAOYSA-N
XLogP4.86
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-2H-triazole-4-carbonitrile
CID 82377911
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
CID 82480749
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
5-(2-chlorophenyl)-1-(cyanomethyl)triazole-4-carbonitrile
CID 82206523
6-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile;2-(2-cyano-9-oxoindeno[1,2-b]pyrazin-3-yl)acetamide
CID 159982210
4-chloro-6-(2-chlorophenyl)-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 86617255
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 73230794

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile (CID 132588447) is 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile is N#Cc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)nc1C#N.
What is the InChIKey of 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is MJIXAVLNFHSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2N4/c19-13-7-3-1-5-11(13)17-18(12-6-2-4-8-14(12)20)24-16(10-22)15(9-21)23-17/h1-8H.
What are the key properties of 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile?
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 351.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 132588447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).