5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid

C14H19IN2O3Si — CID 57495793

IUPAC5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)c2cc(I)ccc21
InChIInChI=1S/C14H19IN2O3Si/c1-21(2,3)7-6-20-9-17-12-5-4-10(15)8-11(12)13(16-17)14(18)19/h4-5,8H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyAYQLICHDXZRUDZ-UHFFFAOYSA-N
MW418.31 g/mol
LogP3.65
Rot. Bonds6

About 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid

5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid (PubChem CID 57495793) has the molecular formula C14H19IN2O3Si and a molecular weight of 418.31 g/mol. Its IUPAC name is 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
PubChem CID57495793
Molecular FormulaC14H19IN2O3Si
Molecular Weight418.31 g/mol
Exact Mass418.02
IUPAC Name5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)c2cc(I)ccc21
InChIInChI=1S/C14H19IN2O3Si/c1-21(2,3)7-6-20-9-17-12-5-4-10(15)8-11(12)13(16-17)14(18)19/h4-5,8H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyAYQLICHDXZRUDZ-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 67230247
5-(3-phenylmethoxypyrrolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 67229400
N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 66854578
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
CID 71216306
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
5-(2-trimethylsilylethoxymethyl)-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylic acid
CID 90037045
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 159062538
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid?
The IUPAC name of 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid (CID 57495793) is 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid?
The canonical SMILES for 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid is C[Si](C)(C)CCOCn1nc(C(=O)O)c2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid?
The InChIKey is AYQLICHDXZRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3Si/c1-21(2,3)7-6-20-9-17-12-5-4-10(15)8-11(12)13(16-17)14(18)19/h4-5,8H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid?
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid has a molecular weight of 418.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 57495793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).