2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane

C12H14Cl2FN3OSi — CID 164922803

IUPAC2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C12H14Cl2FN3OSi/c1-20(2,3)5-4-19-11-7-6-16-10(13)8(15)9(7)17-12(14)18-11/h6H,4-5H2,1-3H3
InChIKeyPXIMZIYRCWYOPG-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.19
Rot. Bonds4

About 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane

2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane (PubChem CID 164922803) has the molecular formula C12H14Cl2FN3OSi and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane.

Molecular Properties

Compound Name2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane
PubChem CID164922803
Molecular FormulaC12H14Cl2FN3OSi
Molecular Weight334.25 g/mol
Exact Mass333.03
IUPAC Name2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C12H14Cl2FN3OSi/c1-20(2,3)5-4-19-11-7-6-16-10(13)8(15)9(7)17-12(14)18-11/h6H,4-5H2,1-3H3
InChIKeyPXIMZIYRCWYOPG-UHFFFAOYSA-N
XLogP4.19
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane?
The IUPAC name of 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane (CID 164922803) is 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane.
What is the SMILES notation for 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane?
The canonical SMILES for 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane is C[Si](C)(C)CCOc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane?
The InChIKey is PXIMZIYRCWYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN3OSi/c1-20(2,3)5-4-19-11-7-6-16-10(13)8(15)9(7)17-12(14)18-11/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane?
2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane has a molecular weight of 334.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)oxyethyl-trimethylsilane is sourced from PubChem (CID 164922803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).