1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C17H22F2N2Si2 — CID 10020691

IUPAC1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1c1cc(F)c(-c2cccnc2)c(F)c1
InChIInChI=1S/C17H22F2N2Si2/c1-22(2)8-9-23(3,4)21(22)14-10-15(18)17(16(19)11-14)13-6-5-7-20-12-13/h5-7,10-12H,8-9H2,1-4H3
InChIKeyHRQOXQRQDORMAC-UHFFFAOYSA-N
MW348.55 g/mol
LogP5.26
Rot. Bonds2

About 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 10020691) has the molecular formula C17H22F2N2Si2 and a molecular weight of 348.55 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID10020691
Molecular FormulaC17H22F2N2Si2
Molecular Weight348.55 g/mol
Exact Mass348.13
IUPAC Name1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC[Si]1(C)CC[Si](C)(C)N1c1cc(F)c(-c2cccnc2)c(F)c1
InChIInChI=1S/C17H22F2N2Si2/c1-22(2)8-9-23(3,4)21(22)14-10-15(18)17(16(19)11-14)13-6-5-7-20-12-13/h5-7,10-12H,8-9H2,1-4H3
InChIKeyHRQOXQRQDORMAC-UHFFFAOYSA-N
XLogP5.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-pyridin-4-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 10065252
3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 143128965
CID 163747948
CID 163747948
3-(4-chloro-2,3,5,6-tetrafluorophenyl)pyridine
CID 46317217
methyl 2,3,5,6-tetrafluoro-4-pyridin-3-ylbenzoate
CID 46317647
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
3-(2,6-dibromophenyl)pyridine
CID 76539776
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80521367
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 10020691) is 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is C[Si]1(C)CC[Si](C)(C)N1c1cc(F)c(-c2cccnc2)c(F)c1.
What is the InChIKey of 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is HRQOXQRQDORMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2Si2/c1-22(2)8-9-23(3,4)21(22)14-10-15(18)17(16(19)11-14)13-6-5-7-20-12-13/h5-7,10-12H,8-9H2,1-4H3.
What are the key properties of 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 348.55 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-pyridin-3-ylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 10020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).