ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate

C11H12N2O3 — CID 66920458

IUPACethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate
SMILESCCOC(=O)c1cc(O)c2n[nH]c(C)c2c1
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)7-4-8-6(2)12-13-10(8)9(14)5-7/h4-5,14H,3H2,1-2H3,(H,12,13)
InChIKeyBGAHIKSYHSNRBA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.75
Rot. Bonds2

About ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate

ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate (PubChem CID 66920458) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate
PubChem CID66920458
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate
SMILESCCOC(=O)c1cc(O)c2n[nH]c(C)c2c1
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)7-4-8-6(2)12-13-10(8)9(14)5-7/h4-5,14H,3H2,1-2H3,(H,12,13)
InChIKeyBGAHIKSYHSNRBA-UHFFFAOYSA-N
XLogP1.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1H-indazole-5-carboxylic acid
CID 66920626
5-(methoxycarbonyl)-1H-indazole-3-carboxylic acid
CID 69037692
3-(hydroxymethyl)-1H-indazole-5-carboxylic acid
CID 53399349
3-(methoxycarbonyl)-1H-indazole-5-carboxylic acid
CID 66524882
ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate
CID 135029757
3-(3-fluorophenyl)-7-methoxy-1H-indazole-5-carboxylic acid
CID 22260767
3-(2,4-difluoro-3-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 69420247
Methyl 3-(Difluoromethyl)-7-methoxy-1H-indazole-5-carboxylate
CID 177814839
2-[[3-(2-aminoethyl)-5-ethoxycarbonyl-2H-indazol-7-yl]oxy]-2-oxoacetic acid
CID 19764698
3-(3-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 22260645
3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid
CID 22260882
3-(7-Methoxy-1H-indazol-3-YL)propanoic acid
CID 23071129

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate?
The IUPAC name of ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate (CID 66920458) is ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate is CCOC(=O)c1cc(O)c2n[nH]c(C)c2c1.
What is the InChIKey of ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate?
The InChIKey is BGAHIKSYHSNRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-11(15)7-4-8-6(2)12-13-10(8)9(14)5-7/h4-5,14H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate?
ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-3-methyl-2H-indazole-5-carboxylate is sourced from PubChem (CID 66920458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).