5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile

C12H6ClN3OSe — CID 110194660

IUPAC5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile
SMILESN#Cc1c(N)oc2c(-c3ccccc3Cl)[se]nc12
InChIInChI=1S/C12H6ClN3OSe/c13-8-4-2-1-3-6(8)11-10-9(16-18-11)7(5-14)12(15)17-10/h1-4H,15H2
InChIKeyYUESTWIXSPZPBB-UHFFFAOYSA-N
MW322.61 g/mol
LogP2.66
Rot. Bonds1

About 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile

5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile (PubChem CID 110194660) has the molecular formula C12H6ClN3OSe and a molecular weight of 322.61 g/mol. Its IUPAC name is 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile
PubChem CID110194660
Molecular FormulaC12H6ClN3OSe
Molecular Weight322.61 g/mol
Exact Mass322.94
IUPAC Name5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile
SMILESN#Cc1c(N)oc2c(-c3ccccc3Cl)[se]nc12
InChIInChI=1S/C12H6ClN3OSe/c13-8-4-2-1-3-6(8)11-10-9(16-18-11)7(5-14)12(15)17-10/h1-4H,15H2
InChIKeyYUESTWIXSPZPBB-UHFFFAOYSA-N
XLogP2.66
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile?
The IUPAC name of 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile (CID 110194660) is 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile?
The canonical SMILES for 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile is N#Cc1c(N)oc2c(-c3ccccc3Cl)[se]nc12.
What is the InChIKey of 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile?
The InChIKey is YUESTWIXSPZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3OSe/c13-8-4-2-1-3-6(8)11-10-9(16-18-11)7(5-14)12(15)17-10/h1-4H,15H2.
What are the key properties of 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile?
5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile has a molecular weight of 322.61 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-chlorophenyl)furo[3,2-c][1,2]selenazole-6-carbonitrile is sourced from PubChem (CID 110194660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).