2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine

C29H30FNO2 — CID 141427845

IUPAC2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine
SMILESCCOC(OCC)C1C=CC(F)=CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30FNO2/c1-3-32-28(33-4-2)27-21-20-26(30)22-31(27)29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22,27-28H,3-4H2,1-2H3
InChIKeyQXUZYPBBFSTYKE-UHFFFAOYSA-N
MW443.56 g/mol
LogP6.43
Rot. Bonds9

About 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine

2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine (PubChem CID 141427845) has the molecular formula C29H30FNO2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine.

Molecular Properties

Compound Name2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine
PubChem CID141427845
Molecular FormulaC29H30FNO2
Molecular Weight443.56 g/mol
Exact Mass443.23
IUPAC Name2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine
SMILESCCOC(OCC)C1C=CC(F)=CN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30FNO2/c1-3-32-28(33-4-2)27-21-20-26(30)22-31(27)29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22,27-28H,3-4H2,1-2H3
InChIKeyQXUZYPBBFSTYKE-UHFFFAOYSA-N
XLogP6.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.56
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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tributyl-[(2S)-3-(methoxymethoxymethyl)-1-tritylaziridin-2-yl]stannane
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N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine?
The IUPAC name of 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine (CID 141427845) is 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine.
What is the SMILES notation for 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine?
The canonical SMILES for 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine is CCOC(OCC)C1C=CC(F)=CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine?
The InChIKey is QXUZYPBBFSTYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FNO2/c1-3-32-28(33-4-2)27-21-20-26(30)22-31(27)29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22,27-28H,3-4H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine?
2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine has a molecular weight of 443.56 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine is sourced from PubChem (CID 141427845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).