2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C12H17BrIN3OSi — CID 169114152

IUPAC2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(I)c2cncc(Br)c21
InChIInChI=1S/C12H17BrIN3OSi/c1-19(2,3)5-4-18-8-17-11-9(12(14)16-17)6-15-7-10(11)13/h6-7H,4-5,8H2,1-3H3
InChIKeyLCMMPAOZAZZMHK-UHFFFAOYSA-N
MW454.18 g/mol
LogP4.11
Rot. Bonds5

About 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 169114152) has the molecular formula C12H17BrIN3OSi and a molecular weight of 454.18 g/mol. Its IUPAC name is 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID169114152
Molecular FormulaC12H17BrIN3OSi
Molecular Weight454.18 g/mol
Exact Mass452.94
IUPAC Name2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(I)c2cncc(Br)c21
InChIInChI=1S/C12H17BrIN3OSi/c1-19(2,3)5-4-18-8-17-11-9(12(14)16-17)6-15-7-10(11)13/h6-7H,4-5,8H2,1-3H3
InChIKeyLCMMPAOZAZZMHK-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.18
LogP ≤ 54.11
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'}

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Related Compounds

2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
2-[[5-bromo-3-iodo-7-(prop-2-enoxymethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153306690
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-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
2-[(3-bromo-5-iodo-4-propan-2-ylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156733839
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 175820196
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 152639581
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 169114152) is 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(I)c2cncc(Br)c21.
What is the InChIKey of 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LCMMPAOZAZZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrIN3OSi/c1-19(2,3)5-4-18-8-17-11-9(12(14)16-17)6-15-7-10(11)13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 454.18 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-3-iodopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 169114152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).