6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole

C15H12F2N2O2 — CID 118893630

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole
SMILESCOc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1F
InChIInChI=1S/C15H12F2N2O2/c1-20-11-6-12(21-2)15(17)13(14(11)16)8-3-4-9-7-18-19-10(9)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyONNKPILVWGFBLP-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.53
Rot. Bonds3

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole

6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole (PubChem CID 118893630) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole
PubChem CID118893630
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole
SMILESCOc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1F
InChIInChI=1S/C15H12F2N2O2/c1-20-11-6-12(21-2)15(17)13(14(11)16)8-3-4-9-7-18-19-10(9)5-8/h3-7H,1-2H3,(H,18,19)
InChIKeyONNKPILVWGFBLP-UHFFFAOYSA-N
XLogP3.53
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole (CID 118893630) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole is COc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1F.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole?
The InChIKey is ONNKPILVWGFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-20-11-6-12(21-2)15(17)13(14(11)16)8-3-4-9-7-18-19-10(9)5-8/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole has a molecular weight of 290.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 118893630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).