4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid

C11H10N2O5 — CID 24728191

IUPAC4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid
SMILESCOC(=O)c1cc(OC)c2c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C11H10N2O5/c1-17-7-4-5(11(16)18-2)3-6-8(7)9(10(14)15)13-12-6/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyPYRSPNUBHXCNGW-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.06
Rot. Bonds3

About 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid

4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid (PubChem CID 24728191) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid
PubChem CID24728191
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid
SMILESCOC(=O)c1cc(OC)c2c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C11H10N2O5/c1-17-7-4-5(11(16)18-2)3-6-8(7)9(10(14)15)13-12-6/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyPYRSPNUBHXCNGW-UHFFFAOYSA-N
XLogP1.06
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 3-carbamoyl-1H-indazole-6-carboxylate
CID 166522746
4-methoxy-1H-indazole-3-carbonyl chloride
CID 76846252
5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 154793828
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
CID 10040701
methyl 7-bromo-5-hydroxy-4,8-dimethoxy-6-methylnaphthalene-2-carboxylate
CID 13158265
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
CID 117325019
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid?
The IUPAC name of 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid (CID 24728191) is 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid?
The canonical SMILES for 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid is COC(=O)c1cc(OC)c2c(C(=O)O)n[nH]c2c1.
What is the InChIKey of 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid?
The InChIKey is PYRSPNUBHXCNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-17-7-4-5(11(16)18-2)3-6-8(7)9(10(14)15)13-12-6/h3-4H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid?
4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 24728191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).