4-methoxy-2H-indazole-5-carboxylic acid

C9H8N2O3 — CID 135829581

IUPAC4-methoxy-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2n[nH]cc12
InChIInChI=1S/C9H8N2O3/c1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyKJDBRQOEQOHXOC-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.27
Rot. Bonds2

About 4-methoxy-2H-indazole-5-carboxylic acid

4-methoxy-2H-indazole-5-carboxylic acid (PubChem CID 135829581) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-methoxy-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2H-indazole-5-carboxylic acid
PubChem CID135829581
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-methoxy-2H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2n[nH]cc12
InChIInChI=1S/C9H8N2O3/c1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyKJDBRQOEQOHXOC-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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7-methoxy-2,3-dimethylindazole-6-carboxylic acid
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carbonic acid;2-methoxy-3-methylbenzoic acid
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3,4-dibromo-2-methoxybenzoic acid
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3-amino-2-methoxybenzoic acid
CID 19849158
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
4-methoxy-3-methyl-1,2-benzoxazole-5-carboxylic acid
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8-methoxy-1-methylisoquinoline-7-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2H-indazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-2H-indazole-5-carboxylic acid (CID 135829581) is 4-methoxy-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-2H-indazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-2H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2n[nH]cc12.
What is the InChIKey of 4-methoxy-2H-indazole-5-carboxylic acid?
The InChIKey is KJDBRQOEQOHXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8-5(9(12)13)2-3-7-6(8)4-10-11-7/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-methoxy-2H-indazole-5-carboxylic acid?
4-methoxy-2H-indazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 135829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).