7-methoxy-2,3-dimethylindazole-6-carboxylic acid

C11H12N2O3 — CID 117110319

IUPAC7-methoxy-2,3-dimethylindazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O3/c1-6-7-4-5-8(11(14)15)10(16-3)9(7)12-13(6)2/h4-5H,1-3H3,(H,14,15)
InChIKeyYYBSOIDPVQLSDX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.59
Rot. Bonds2

About 7-methoxy-2,3-dimethylindazole-6-carboxylic acid

7-methoxy-2,3-dimethylindazole-6-carboxylic acid (PubChem CID 117110319) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-methoxy-2,3-dimethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2,3-dimethylindazole-6-carboxylic acid
PubChem CID117110319
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name7-methoxy-2,3-dimethylindazole-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2c(C)n(C)nc12
InChIInChI=1S/C11H12N2O3/c1-6-7-4-5-8(11(14)15)10(16-3)9(7)12-13(6)2/h4-5H,1-3H3,(H,14,15)
InChIKeyYYBSOIDPVQLSDX-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethylindazole-7-carboxylic acid
CID 117110311
4-methoxy-2H-indazole-5-carboxylic acid
CID 135829581
7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2-bromo-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzoic acid
CID 107282565
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
3-methoxy-2-methylpyrazolo[4,3-c]pyridine-7-carboxylic acid
CID 105459887
(2,3-dimethylindazol-7-yl) acetate
CID 176566350
2,7-dimethylindazole-6-carboxylic acid
CID 117110179
3-(4-methoxy-3,5-dimethylpyrazol-1-yl)-2-methylbenzoic acid
CID 166260181
2-[5-carbamoyl-1-[2-[5-carbamoyl-2-(2-carboxy-6-fluorophenyl)-4-methoxybenzimidazol-1-yl]ethyl]-4-methoxybenzimidazol-2-yl]-3-fluorobenzoic acid
CID 156790464

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dimethylindazole-6-carboxylic acid?
The IUPAC name of 7-methoxy-2,3-dimethylindazole-6-carboxylic acid (CID 117110319) is 7-methoxy-2,3-dimethylindazole-6-carboxylic acid.
What is the SMILES notation for 7-methoxy-2,3-dimethylindazole-6-carboxylic acid?
The canonical SMILES for 7-methoxy-2,3-dimethylindazole-6-carboxylic acid is COc1c(C(=O)O)ccc2c(C)n(C)nc12.
What is the InChIKey of 7-methoxy-2,3-dimethylindazole-6-carboxylic acid?
The InChIKey is YYBSOIDPVQLSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-7-4-5-8(11(14)15)10(16-3)9(7)12-13(6)2/h4-5H,1-3H3,(H,14,15).
What are the key properties of 7-methoxy-2,3-dimethylindazole-6-carboxylic acid?
7-methoxy-2,3-dimethylindazole-6-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3-dimethylindazole-6-carboxylic acid is sourced from PubChem (CID 117110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).