2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane

C12H18ClN3OSi — CID 90176933

IUPAC2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2ccc(Cl)nc21
InChIInChI=1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-8-14-10-4-5-11(13)15-12(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRRLAQRZOKZEIKG-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.40
Rot. Bonds5

About 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane

2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane (PubChem CID 90176933) has the molecular formula C12H18ClN3OSi and a molecular weight of 283.83 g/mol. Its IUPAC name is 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
PubChem CID90176933
Molecular FormulaC12H18ClN3OSi
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2ccc(Cl)nc21
InChIInChI=1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-8-14-10-4-5-11(13)15-12(10)16/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRRLAQRZOKZEIKG-UHFFFAOYSA-N
XLogP3.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane (CID 90176933) is 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2ccc(Cl)nc21.
What is the InChIKey of 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RRLAQRZOKZEIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OSi/c1-18(2,3)7-6-17-9-16-8-14-10-4-5-11(13)15-12(10)16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane?
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 283.83 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90176933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).