ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one

C11H15FN2O2 — CID 142432298

IUPACethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one
SMILESCC.COn1[nH]c2c(F)cc(C)cc2c1=O
InChIInChI=1S/C9H9FN2O2.C2H6/c1-5-3-6-8(7(10)4-5)11-12(14-2)9(6)13;1-2/h3-4,11H,1-2H3;1-2H3
InChIKeyPSMHWOGHELVQIH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.86
Rot. Bonds1

About ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one

ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one (PubChem CID 142432298) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one.

Molecular Properties

Compound Nameethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one
PubChem CID142432298
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nameethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one
SMILESCC.COn1[nH]c2c(F)cc(C)cc2c1=O
InChIInChI=1S/C9H9FN2O2.C2H6/c1-5-3-6-8(7(10)4-5)11-12(14-2)9(6)13;1-2/h3-4,11H,1-2H3;1-2H3
InChIKeyPSMHWOGHELVQIH-UHFFFAOYSA-N
XLogP1.86
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one?
The IUPAC name of ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one (CID 142432298) is ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one.
What is the SMILES notation for ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one?
The canonical SMILES for ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one is CC.COn1[nH]c2c(F)cc(C)cc2c1=O.
What is the InChIKey of ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one?
The InChIKey is PSMHWOGHELVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2.C2H6/c1-5-3-6-8(7(10)4-5)11-12(14-2)9(6)13;1-2/h3-4,11H,1-2H3;1-2H3.
What are the key properties of ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one?
ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one has a molecular weight of 226.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-2-methoxy-5-methyl-1H-indazol-3-one is sourced from PubChem (CID 142432298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).