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

C17H16F2N2O2 — CID 166774565

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2cc(-c3c(F)c(OC)cc(OC)c3F)ccc12
InChIInChI=1S/C17H16F2N2O2/c1-4-11-10-6-5-9(7-12(10)21-20-11)15-16(18)13(22-2)8-14(23-3)17(15)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyXNSHPBIWIRMMDU-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.09
Rot. Bonds4

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

6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole (PubChem CID 166774565) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole
PubChem CID166774565
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2cc(-c3c(F)c(OC)cc(OC)c3F)ccc12
InChIInChI=1S/C17H16F2N2O2/c1-4-11-10-6-5-9(7-12(10)21-20-11)15-16(18)13(22-2)8-14(23-3)17(15)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyXNSHPBIWIRMMDU-UHFFFAOYSA-N
XLogP4.09
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.09
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)-3-ethyl-2H-indazole?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole (CID 166774565) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole is CCc1[nH]nc2cc(-c3c(F)c(OC)cc(OC)c3F)ccc12.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole?
The InChIKey is XNSHPBIWIRMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-4-11-10-6-5-9(7-12(10)21-20-11)15-16(18)13(22-2)8-14(23-3)17(15)19/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-ethyl-2H-indazole has a molecular weight of 318.32 g/mol, XLogP of 4.09, 4 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)-3-ethyl-2H-indazole is sourced from PubChem (CID 166774565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).