1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one

C19H27Cl2N3O3Si — CID 156710512

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Oc2c(Cl)cc(NN)cc2Cl)ccc1=O
InChIInChI=1S/C19H27Cl2N3O3Si/c1-19(2,3)28(4,5)26-9-8-24-12-14(6-7-17(24)25)27-18-15(20)10-13(23-22)11-16(18)21/h6-7,10-12,23H,8-9,22H2,1-5H3
InChIKeyXHCZRENEMKMIQI-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.25
Rot. Bonds7

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one (PubChem CID 156710512) has the molecular formula C19H27Cl2N3O3Si and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one
PubChem CID156710512
Molecular FormulaC19H27Cl2N3O3Si
Molecular Weight444.44 g/mol
Exact Mass443.12
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Oc2c(Cl)cc(NN)cc2Cl)ccc1=O
InChIInChI=1S/C19H27Cl2N3O3Si/c1-19(2,3)28(4,5)26-9-8-24-12-14(6-7-17(24)25)27-18-15(20)10-13(23-22)11-16(18)21/h6-7,10-12,23H,8-9,22H2,1-5H3
InChIKeyXHCZRENEMKMIQI-UHFFFAOYSA-N
XLogP5.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one (CID 156710512) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one is CC(C)(C)[Si](C)(C)OCCn1cc(Oc2c(Cl)cc(NN)cc2Cl)ccc1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one?
The InChIKey is XHCZRENEMKMIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O3Si/c1-19(2,3)28(4,5)26-9-8-24-12-14(6-7-17(24)25)27-18-15(20)10-13(23-22)11-16(18)21/h6-7,10-12,23H,8-9,22H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one has a molecular weight of 444.44 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2,6-dichloro-4-hydrazinylphenoxy)pyridin-2-one is sourced from PubChem (CID 156710512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).