5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane

C13H20F2N2O — CID 178095598

IUPAC5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
SMILESCC.CC.COc1c(F)cc2c(C)[nH]nc2c1F
InChIInChI=1S/C9H8F2N2O.2C2H6/c1-4-5-3-6(10)9(14-2)7(11)8(5)13-12-4;2*1-2/h3H,1-2H3,(H,12,13);2*1-2H3
InChIKeyAJWUHQTYBLHSRO-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.21
Rot. Bonds1

About 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane

5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane (PubChem CID 178095598) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane.

Molecular Properties

Compound Name5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
PubChem CID178095598
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
SMILESCC.CC.COc1c(F)cc2c(C)[nH]nc2c1F
InChIInChI=1S/C9H8F2N2O.2C2H6/c1-4-5-3-6(10)9(14-2)7(11)8(5)13-12-4;2*1-2/h3H,1-2H3,(H,12,13);2*1-2H3
InChIKeyAJWUHQTYBLHSRO-UHFFFAOYSA-N
XLogP4.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane?
The IUPAC name of 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane (CID 178095598) is 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane.
What is the SMILES notation for 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane?
The canonical SMILES for 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane is CC.CC.COc1c(F)cc2c(C)[nH]nc2c1F.
What is the InChIKey of 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane?
The InChIKey is AJWUHQTYBLHSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O.2C2H6/c1-4-5-3-6(10)9(14-2)7(11)8(5)13-12-4;2*1-2/h3H,1-2H3,(H,12,13);2*1-2H3.
What are the key properties of 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane?
5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane has a molecular weight of 258.31 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane is sourced from PubChem (CID 178095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).