3,9-difluoroindazolo[2,1-a]indazole-6,12-dione

C14H6F2N2O2 — CID 102073987

IUPAC3,9-difluoroindazolo[2,1-a]indazole-6,12-dione
SMILESO=c1c2ccc(F)cc2n2c(=O)c3ccc(F)cc3n12
InChIInChI=1S/C14H6F2N2O2/c15-7-1-3-9-11(5-7)17-14(20)10-4-2-8(16)6-12(10)18(17)13(9)19/h1-6H
InChIKeyWBXULPPQQBZXAU-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.78
Rot. Bonds

About 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione

3,9-difluoroindazolo[2,1-a]indazole-6,12-dione (PubChem CID 102073987) has the molecular formula C14H6F2N2O2 and a molecular weight of 272.21 g/mol. Its IUPAC name is 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione.

Molecular Properties

Compound Name3,9-difluoroindazolo[2,1-a]indazole-6,12-dione
PubChem CID102073987
Molecular FormulaC14H6F2N2O2
Molecular Weight272.21 g/mol
Exact Mass272.04
IUPAC Name3,9-difluoroindazolo[2,1-a]indazole-6,12-dione
SMILESO=c1c2ccc(F)cc2n2c(=O)c3ccc(F)cc3n12
InChIInChI=1S/C14H6F2N2O2/c15-7-1-3-9-11(5-7)17-14(20)10-4-2-8(16)6-12(10)18(17)13(9)19/h1-6H
InChIKeyWBXULPPQQBZXAU-UHFFFAOYSA-N
XLogP1.78
TPSA42.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione?
The IUPAC name of 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione (CID 102073987) is 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione.
What is the SMILES notation for 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione?
The canonical SMILES for 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione is O=c1c2ccc(F)cc2n2c(=O)c3ccc(F)cc3n12.
What is the InChIKey of 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione?
The InChIKey is WBXULPPQQBZXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2N2O2/c15-7-1-3-9-11(5-7)17-14(20)10-4-2-8(16)6-12(10)18(17)13(9)19/h1-6H.
What are the key properties of 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione?
3,9-difluoroindazolo[2,1-a]indazole-6,12-dione has a molecular weight of 272.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-difluoroindazolo[2,1-a]indazole-6,12-dione is sourced from PubChem (CID 102073987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).