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

C15H13FN2O2 — CID 118893704

IUPAC6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole
SMILESCOc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H13FN2O2/c1-19-11-6-12(15(16)14(7-11)20-2)9-3-4-10-8-17-18-13(10)5-9/h3-8H,1-2H3,(H,17,18)
InChIKeyFBRFGJAJSVBXOO-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.39
Rot. Bonds3

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

6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole (PubChem CID 118893704) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole
PubChem CID118893704
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole
SMILESCOc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H13FN2O2/c1-19-11-6-12(15(16)14(7-11)20-2)9-3-4-10-8-17-18-13(10)5-9/h3-8H,1-2H3,(H,17,18)
InChIKeyFBRFGJAJSVBXOO-UHFFFAOYSA-N
XLogP3.39
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole?
The IUPAC name of 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole (CID 118893704) is 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole?
The canonical SMILES for 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole is COc1cc(OC)c(F)c(-c2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole?
The InChIKey is FBRFGJAJSVBXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-11-6-12(15(16)14(7-11)20-2)9-3-4-10-8-17-18-13(10)5-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole?
6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole has a molecular weight of 272.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 118893704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).