3-methoxyindazole-1-carboxylic acid

C9H8N2O3 — CID 123417005

IUPAC3-methoxyindazole-1-carboxylic acid
SMILESCOc1nn(C(=O)O)c2ccccc12
InChIInChI=1S/C9H8N2O3/c1-14-8-6-4-2-3-5-7(6)11(10-8)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyCWKFXNBAYMMCKE-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.57
Rot. Bonds1

About 3-methoxyindazole-1-carboxylic acid

3-methoxyindazole-1-carboxylic acid (PubChem CID 123417005) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-methoxyindazole-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxyindazole-1-carboxylic acid
PubChem CID123417005
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-methoxyindazole-1-carboxylic acid
SMILESCOc1nn(C(=O)O)c2ccccc12
InChIInChI=1S/C9H8N2O3/c1-14-8-6-4-2-3-5-7(6)11(10-8)9(12)13/h2-5H,1H3,(H,12,13)
InChIKeyCWKFXNBAYMMCKE-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-methoxyindazole-1-carboxylic acid
CID 150593885
3-chloroindazole-1-carboxylic acid
CID 68876462
2,3-dimethoxyindole-1-carboxylic acid
CID 150022896
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
CID 103125238
2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280087
ethyl 5-hydroxy-3-methoxyindazole-1-carboxylate
CID 156851175
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
2-(1-methylindazol-3-yl)oxypropanoic acid
CID 112757766
(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
CID 124676429
butyl 4-(3-methoxyindazol-1-yl)benzoate
CID 30388
tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
CID 70660035
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892

Frequently Asked Questions

What is the IUPAC name of 3-methoxyindazole-1-carboxylic acid?
The IUPAC name of 3-methoxyindazole-1-carboxylic acid (CID 123417005) is 3-methoxyindazole-1-carboxylic acid.
What is the SMILES notation for 3-methoxyindazole-1-carboxylic acid?
The canonical SMILES for 3-methoxyindazole-1-carboxylic acid is COc1nn(C(=O)O)c2ccccc12.
What is the InChIKey of 3-methoxyindazole-1-carboxylic acid?
The InChIKey is CWKFXNBAYMMCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8-6-4-2-3-5-7(6)11(10-8)9(12)13/h2-5H,1H3,(H,12,13).
What are the key properties of 3-methoxyindazole-1-carboxylic acid?
3-methoxyindazole-1-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyindazole-1-carboxylic acid is sourced from PubChem (CID 123417005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).