methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride

C10H11ClN2O3 — CID 165468777

IUPACmethyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)cc2cn[nH]c12.Cl
InChIInChI=1S/C10H10N2O3.ClH/c1-14-7-3-6-5-11-12-9(6)8(4-7)10(13)15-2;/h3-5H,1-2H3,(H,11,12);1H
InChIKeyIISBZULXMAVFGF-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.78
Rot. Bonds2

About methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride

methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride (PubChem CID 165468777) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride
PubChem CID165468777
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Namemethyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(OC)cc2cn[nH]c12.Cl
InChIInChI=1S/C10H10N2O3.ClH/c1-14-7-3-6-5-11-12-9(6)8(4-7)10(13)15-2;/h3-5H,1-2H3,(H,11,12);1H
InChIKeyIISBZULXMAVFGF-UHFFFAOYSA-N
XLogP1.78
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride?
The IUPAC name of methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride (CID 165468777) is methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride is COC(=O)c1cc(OC)cc2cn[nH]c12.Cl.
What is the InChIKey of methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride?
The InChIKey is IISBZULXMAVFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.ClH/c1-14-7-3-6-5-11-12-9(6)8(4-7)10(13)15-2;/h3-5H,1-2H3,(H,11,12);1H.
What are the key properties of methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride?
methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride has a molecular weight of 242.66 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-1H-indazole-7-carboxylate;hydrochloride is sourced from PubChem (CID 165468777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).