7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole

C12H7Cl2N3O — CID 1126113

IUPAC7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
SMILESClc1cc(Cl)c2[nH]c3c(c2c1)CCc1nonc1-3
InChIInChI=1S/C12H7Cl2N3O/c13-5-3-7-6-1-2-9-12(17-18-16-9)11(6)15-10(7)8(14)4-5/h3-4,15H,1-2H2
InChIKeyAKLGZSZFOKLAFA-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.62
Rot. Bonds

About 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole

7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole (PubChem CID 1126113) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole.

Molecular Properties

Compound Name7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
PubChem CID1126113
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole
SMILESClc1cc(Cl)c2[nH]c3c(c2c1)CCc1nonc1-3
InChIInChI=1S/C12H7Cl2N3O/c13-5-3-7-6-1-2-9-12(17-18-16-9)11(6)15-10(7)8(14)4-5/h3-4,15H,1-2H2
InChIKeyAKLGZSZFOKLAFA-UHFFFAOYSA-N
XLogP3.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The IUPAC name of 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole (CID 1126113) is 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole.
What is the SMILES notation for 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The canonical SMILES for 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole is Clc1cc(Cl)c2[nH]c3c(c2c1)CCc1nonc1-3.
What is the InChIKey of 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
The InChIKey is AKLGZSZFOKLAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-5-3-7-6-1-2-9-12(17-18-16-9)11(6)15-10(7)8(14)4-5/h3-4,15H,1-2H2.
What are the key properties of 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole?
7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole has a molecular weight of 280.11 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-5,10-dihydro-4H-[1,2,5]oxadiazolo[3,4-a]carbazole is sourced from PubChem (CID 1126113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).