N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine

C25H29FN2OSi — CID 59139248

IUPACN-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(N=C(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C25H29FN2OSi/c1-25(2,3)30(4,5)29-18-21-16-17-27-24(22(21)26)28-23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,18H2,1-5H3
InChIKeyOQESNPVFVCCGJW-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.91
Rot. Bonds6

About N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine

N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 59139248) has the molecular formula C25H29FN2OSi and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine
PubChem CID59139248
Molecular FormulaC25H29FN2OSi
Molecular Weight420.60 g/mol
Exact Mass420.20
IUPAC NameN-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(N=C(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C25H29FN2OSi/c1-25(2,3)30(4,5)29-18-21-16-17-27-24(22(21)26)28-23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,18H2,1-5H3
InChIKeyOQESNPVFVCCGJW-UHFFFAOYSA-N
XLogP6.91
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine (CID 59139248) is N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine is CC(C)(C)[Si](C)(C)OCc1ccnc(N=C(c2ccccc2)c2ccccc2)c1F.
What is the InChIKey of N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is OQESNPVFVCCGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2OSi/c1-25(2,3)30(4,5)29-18-21-16-17-27-24(22(21)26)28-23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17H,18H2,1-5H3.
What are the key properties of N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine?
N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 420.60 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 59139248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).