methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate

C13H14FN3O2 — CID 129166208

IUPACmethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyOUXDZYRMLCVATN-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.41
Rot. Bonds2

About methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate

methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate (PubChem CID 129166208) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
PubChem CID129166208
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Namemethyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F
InChIInChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3
InChIKeyOUXDZYRMLCVATN-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The IUPAC name of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate (CID 129166208) is methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate.
What is the SMILES notation for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The canonical SMILES for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate is COC(=O)c1cc2c(C)nn(C3CNC3)c2cc1F.
What is the InChIKey of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
The InChIKey is OUXDZYRMLCVATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-9-3-10(13(18)19-2)11(14)4-12(9)17(16-7)8-5-15-6-8/h3-4,8,15H,5-6H2,1-2H3.
What are the key properties of methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate?
methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(azetidin-3-yl)-6-fluoro-3-methylindazole-5-carboxylate is sourced from PubChem (CID 129166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).