methyl 2-ethylindazole-6-carboxylate

C11H12N2O2 — CID 163230724

IUPACmethyl 2-ethylindazole-6-carboxylate
SMILESCCn1cc2ccc(C(=O)OC)cc2n1
InChIInChI=1S/C11H12N2O2/c1-3-13-7-9-5-4-8(11(14)15-2)6-10(9)12-13/h4-7H,3H2,1-2H3
InChIKeyWDIDVBYLKAENNL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-ethylindazole-6-carboxylate

methyl 2-ethylindazole-6-carboxylate (PubChem CID 163230724) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-ethylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylindazole-6-carboxylate
PubChem CID163230724
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-ethylindazole-6-carboxylate
SMILESCCn1cc2ccc(C(=O)OC)cc2n1
InChIInChI=1S/C11H12N2O2/c1-3-13-7-9-5-4-8(11(14)15-2)6-10(9)12-13/h4-7H,3H2,1-2H3
InChIKeyWDIDVBYLKAENNL-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylindazole-6-carboxylate?
The IUPAC name of methyl 2-ethylindazole-6-carboxylate (CID 163230724) is methyl 2-ethylindazole-6-carboxylate.
What is the SMILES notation for methyl 2-ethylindazole-6-carboxylate?
The canonical SMILES for methyl 2-ethylindazole-6-carboxylate is CCn1cc2ccc(C(=O)OC)cc2n1.
What is the InChIKey of methyl 2-ethylindazole-6-carboxylate?
The InChIKey is WDIDVBYLKAENNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-7-9-5-4-8(11(14)15-2)6-10(9)12-13/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-ethylindazole-6-carboxylate?
methyl 2-ethylindazole-6-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylindazole-6-carboxylate is sourced from PubChem (CID 163230724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).