[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol

C14H21ClN2O2Si — CID 163209326

IUPAC[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2c(CO)ccc(Cl)c21
InChIInChI=1S/C14H21ClN2O2Si/c1-20(2,3)7-6-19-10-17-14-12(8-16-17)11(9-18)4-5-13(14)15/h4-5,8,18H,6-7,9-10H2,1-3H3
InChIKeyKXCOHKKDYDOGFT-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.49
Rot. Bonds6

About [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol

[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol (PubChem CID 163209326) has the molecular formula C14H21ClN2O2Si and a molecular weight of 312.87 g/mol. Its IUPAC name is [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol.

Molecular Properties

Compound Name[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
PubChem CID163209326
Molecular FormulaC14H21ClN2O2Si
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2c(CO)ccc(Cl)c21
InChIInChI=1S/C14H21ClN2O2Si/c1-20(2,3)7-6-19-10-17-14-12(8-16-17)11(9-18)4-5-13(14)15/h4-5,8,18H,6-7,9-10H2,1-3H3
InChIKeyKXCOHKKDYDOGFT-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.49
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'}

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Related Compounds

[7-[[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 171659868
(1R)-1-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]ethane-1,2-diol
CID 165175424
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
CID 170983030
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
CID 171832869
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761
2-[[7-fluoro-4-[(2R)-oxiran-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 165175428
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429

Frequently Asked Questions

What is the IUPAC name of [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol?
The IUPAC name of [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol (CID 163209326) is [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol.
What is the SMILES notation for [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol?
The canonical SMILES for [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol is C[Si](C)(C)CCOCn1ncc2c(CO)ccc(Cl)c21.
What is the InChIKey of [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol?
The InChIKey is KXCOHKKDYDOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2Si/c1-20(2,3)7-6-19-10-17-14-12(8-16-17)11(9-18)4-5-13(14)15/h4-5,8,18H,6-7,9-10H2,1-3H3.
What are the key properties of [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol?
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol has a molecular weight of 312.87 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol is sourced from PubChem (CID 163209326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).