5-benzyl-6-chloropyrazine-2,3-dicarbonitrile

C13H7ClN4 — CID 13336835

IUPAC5-benzyl-6-chloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(Cl)c(Cc2ccccc2)nc1C#N
InChIInChI=1S/C13H7ClN4/c14-13-10(6-9-4-2-1-3-5-9)17-11(7-15)12(8-16)18-13/h1-5H,6H2
InChIKeyFEPGBNKABMIKPA-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.46
Rot. Bonds2

About 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile

5-benzyl-6-chloropyrazine-2,3-dicarbonitrile (PubChem CID 13336835) has the molecular formula C13H7ClN4 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-benzyl-6-chloropyrazine-2,3-dicarbonitrile
PubChem CID13336835
Molecular FormulaC13H7ClN4
Molecular Weight254.68 g/mol
Exact Mass254.04
IUPAC Name5-benzyl-6-chloropyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(Cl)c(Cc2ccccc2)nc1C#N
InChIInChI=1S/C13H7ClN4/c14-13-10(6-9-4-2-1-3-5-9)17-11(7-15)12(8-16)18-13/h1-5H,6H2
InChIKeyFEPGBNKABMIKPA-UHFFFAOYSA-N
XLogP2.46
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
6-(benzylamino)pyrazine-2,3,5-tricarbonitrile
CID 154109669
benzylbenzene;thiocyanic acid
CID 172833701
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
4-anilino-3,5,6-trichloropyridine-2-carbonitrile
CID 166798381
benzylbenzene;uranium;dihydrate
CID 163704034
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
phenyl(113C)methylbenzene
CID 11194569
2-benzyl-3-hydroxyquinoline-7-carbonitrile
CID 18182238
5-benzyl-1-(3-chlorophenyl)triazole-4-carbonitrile
CID 82200377
2-benzyl-3,4,5-trichloropyridine
CID 173468894

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile (CID 13336835) is 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile is N#Cc1nc(Cl)c(Cc2ccccc2)nc1C#N.
What is the InChIKey of 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile?
The InChIKey is FEPGBNKABMIKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4/c14-13-10(6-9-4-2-1-3-5-9)17-11(7-15)12(8-16)18-13/h1-5H,6H2.
What are the key properties of 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile?
5-benzyl-6-chloropyrazine-2,3-dicarbonitrile has a molecular weight of 254.68 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-chloropyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13336835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).