2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione

C14H5Br2ClN2O2 — CID 167188268

IUPAC2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione
SMILESO=c1c2cc(Cl)ccc2n2c3c(Br)cc(Br)cc3c(=O)n12
InChIInChI=1S/C14H5Br2ClN2O2/c15-6-3-9-12(10(16)4-6)18-11-2-1-7(17)5-8(11)13(20)19(18)14(9)21/h1-5H
InChIKeyQBOUAIONRBYJAD-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.68
Rot. Bonds

About 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione

2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione (PubChem CID 167188268) has the molecular formula C14H5Br2ClN2O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione.

Molecular Properties

Compound Name2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione
PubChem CID167188268
Molecular FormulaC14H5Br2ClN2O2
Molecular Weight428.47 g/mol
Exact Mass425.84
IUPAC Name2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione
SMILESO=c1c2cc(Cl)ccc2n2c3c(Br)cc(Br)cc3c(=O)n12
InChIInChI=1S/C14H5Br2ClN2O2/c15-6-3-9-12(10(16)4-6)18-11-2-1-7(17)5-8(11)13(20)19(18)14(9)21/h1-5H
InChIKeyQBOUAIONRBYJAD-UHFFFAOYSA-N
XLogP3.68
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione?
The IUPAC name of 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione (CID 167188268) is 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione.
What is the SMILES notation for 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione?
The canonical SMILES for 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione is O=c1c2cc(Cl)ccc2n2c3c(Br)cc(Br)cc3c(=O)n12.
What is the InChIKey of 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione?
The InChIKey is QBOUAIONRBYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Br2ClN2O2/c15-6-3-9-12(10(16)4-6)18-11-2-1-7(17)5-8(11)13(20)19(18)14(9)21/h1-5H.
What are the key properties of 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione?
2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione has a molecular weight of 428.47 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-8-chloroindazolo[1,2-a]indazole-10,12-dione is sourced from PubChem (CID 167188268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).