2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C17H24BrIN2O2Si — CID 153306690

IUPAC2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=CCOCc1cc(Br)cc2c(I)nn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H24BrIN2O2Si/c1-5-6-22-11-13-9-14(18)10-15-16(13)21(20-17(15)19)12-23-7-8-24(2,3)4/h5,9-10H,1,6-8,11-12H2,2-4H3
InChIKeyWJHLSBKROOJBAW-UHFFFAOYSA-N
MW523.29 g/mol
LogP5.42
Rot. Bonds9

About 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153306690) has the molecular formula C17H24BrIN2O2Si and a molecular weight of 523.29 g/mol. Its IUPAC name is 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153306690
Molecular FormulaC17H24BrIN2O2Si
Molecular Weight523.29 g/mol
Exact Mass521.98
IUPAC Name2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC=CCOCc1cc(Br)cc2c(I)nn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H24BrIN2O2Si/c1-5-6-22-11-13-9-14(18)10-15-16(13)21(20-17(15)19)12-23-7-8-24(2,3)4/h5,9-10H,1,6-8,11-12H2,2-4H3
InChIKeyWJHLSBKROOJBAW-UHFFFAOYSA-N
XLogP5.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.29
LogP ≤ 55.42
H-Bond Donors ≤ 50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 169114152
2-[(5-bromo-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
5-bromo-3-iodo-7-(prop-2-enoxymethyl)-2H-indazole
CID 170086476
tert-butyl 2-[3-acetyl-5-bromo-7-(prop-2-enoxymethyl)indazol-1-yl]acetate
CID 142420816
3-iodo-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 162518295
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156733839

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153306690) is 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C=CCOCc1cc(Br)cc2c(I)nn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WJHLSBKROOJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrIN2O2Si/c1-5-6-22-11-13-9-14(18)10-15-16(13)21(20-17(15)19)12-23-7-8-24(2,3)4/h5,9-10H,1,6-8,11-12H2,2-4H3.
What are the key properties of 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 523.29 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153306690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).