5,6-dichloro-2,1,3-benzoxadiazole

C6H2Cl2N2O — CID 3780691

IUPAC5,6-dichloro-2,1,3-benzoxadiazole
SMILESClc1cc2nonc2cc1Cl
InChIInChI=1S/C6H2Cl2N2O/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKeyYQPCWPICZLWNFO-UHFFFAOYSA-N
MW189.00 g/mol
LogP2.53
Rot. Bonds

About 5,6-dichloro-2,1,3-benzoxadiazole

5,6-dichloro-2,1,3-benzoxadiazole (PubChem CID 3780691) has the molecular formula C6H2Cl2N2O and a molecular weight of 189.00 g/mol. Its IUPAC name is 5,6-dichloro-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5,6-dichloro-2,1,3-benzoxadiazole
PubChem CID3780691
Molecular FormulaC6H2Cl2N2O
Molecular Weight189.00 g/mol
Exact Mass187.95
IUPAC Name5,6-dichloro-2,1,3-benzoxadiazole
SMILESClc1cc2nonc2cc1Cl
InChIInChI=1S/C6H2Cl2N2O/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKeyYQPCWPICZLWNFO-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2,1,3-benzoxadiazole?
The IUPAC name of 5,6-dichloro-2,1,3-benzoxadiazole (CID 3780691) is 5,6-dichloro-2,1,3-benzoxadiazole.
What is the SMILES notation for 5,6-dichloro-2,1,3-benzoxadiazole?
The canonical SMILES for 5,6-dichloro-2,1,3-benzoxadiazole is Clc1cc2nonc2cc1Cl.
What is the InChIKey of 5,6-dichloro-2,1,3-benzoxadiazole?
The InChIKey is YQPCWPICZLWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H.
What are the key properties of 5,6-dichloro-2,1,3-benzoxadiazole?
5,6-dichloro-2,1,3-benzoxadiazole has a molecular weight of 189.00 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,1,3-benzoxadiazole is sourced from PubChem (CID 3780691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).