1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde

C14H20N2O2Si — CID 22486277

IUPAC1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)c2ccccc21
InChIInChI=1S/C14H20N2O2Si/c1-19(2,3)9-8-18-11-16-14-7-5-4-6-12(14)13(10-17)15-16/h4-7,10H,8-9,11H2,1-3H3
InChIKeyVOPODMNJVHGPPX-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde

1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde (PubChem CID 22486277) has the molecular formula C14H20N2O2Si and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
PubChem CID22486277
Molecular FormulaC14H20N2O2Si
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)c2ccccc21
InChIInChI=1S/C14H20N2O2Si/c1-19(2,3)9-8-18-11-16-14-7-5-4-6-12(14)13(10-17)15-16/h4-7,10H,8-9,11H2,1-3H3
InChIKeyVOPODMNJVHGPPX-UHFFFAOYSA-N
XLogP3.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
trimethyl-[2-[[6-(1-phenylethenyl)-3-(2-phenylethenyl)indazol-1-yl]methoxy]ethyl]silane
CID 69371688
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171839827
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
CID 58407607
3-ethyl-1-(propoxymethyl)indazole
CID 70846953
3-[2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 91326919
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde (CID 22486277) is 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde is C[Si](C)(C)CCOCn1nc(C=O)c2ccccc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde?
The InChIKey is VOPODMNJVHGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2Si/c1-19(2,3)9-8-18-11-16-14-7-5-4-6-12(14)13(10-17)15-16/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde?
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde has a molecular weight of 276.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde is sourced from PubChem (CID 22486277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).