ethyl 6-methoxy-2H-indazole-7-carboxylate

C11H12N2O3 — CID 166638452

IUPACethyl 6-methoxy-2H-indazole-7-carboxylate
SMILESCCOC(=O)c1c(OC)ccc2c[nH]nc12
InChIInChI=1S/C11H12N2O3/c1-3-16-11(14)9-8(15-2)5-4-7-6-12-13-10(7)9/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyZQHCKWBFTURPCU-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.75
Rot. Bonds3

About ethyl 6-methoxy-2H-indazole-7-carboxylate

ethyl 6-methoxy-2H-indazole-7-carboxylate (PubChem CID 166638452) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 6-methoxy-2H-indazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2H-indazole-7-carboxylate
PubChem CID166638452
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 6-methoxy-2H-indazole-7-carboxylate
SMILESCCOC(=O)c1c(OC)ccc2c[nH]nc12
InChIInChI=1S/C11H12N2O3/c1-3-16-11(14)9-8(15-2)5-4-7-6-12-13-10(7)9/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyZQHCKWBFTURPCU-UHFFFAOYSA-N
XLogP1.75
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
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CID 11291749
ethyl 3-methoxy-5-methylpyridine-4-carboxylate
CID 171030458
ethyl 5-ethenyl-2-methoxybenzoate
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ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethyl 3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381782
ethyl 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxylate
CID 175942107
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2H-indazole-7-carboxylate?
The IUPAC name of ethyl 6-methoxy-2H-indazole-7-carboxylate (CID 166638452) is ethyl 6-methoxy-2H-indazole-7-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2H-indazole-7-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2H-indazole-7-carboxylate is CCOC(=O)c1c(OC)ccc2c[nH]nc12.
What is the InChIKey of ethyl 6-methoxy-2H-indazole-7-carboxylate?
The InChIKey is ZQHCKWBFTURPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-11(14)9-8(15-2)5-4-7-6-12-13-10(7)9/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 6-methoxy-2H-indazole-7-carboxylate?
ethyl 6-methoxy-2H-indazole-7-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2H-indazole-7-carboxylate is sourced from PubChem (CID 166638452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).