3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine

C32H32FNO4 — CID 118149175

IUPAC3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
SMILESCC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2F)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H32FNO4/c1-2-27-30(36-21-24-14-8-4-9-15-24)31(37-22-25-16-10-5-11-17-25)29(38-27)26-18-19-28(34-32(26)33)35-20-23-12-6-3-7-13-23/h3-19,27,29-31H,2,20-22H2,1H3/t27-,29+,30+,31?/m1/s1
InChIKeyUKZUDOJNEYGJGQ-WZNMFJSQSA-N
MW513.61 g/mol
LogP6.82
Rot. Bonds11

About 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine

3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine (PubChem CID 118149175) has the molecular formula C32H32FNO4 and a molecular weight of 513.61 g/mol. Its IUPAC name is 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine.

Molecular Properties

Compound Name3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
PubChem CID118149175
Molecular FormulaC32H32FNO4
Molecular Weight513.61 g/mol
Exact Mass513.23
IUPAC Name3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
SMILESCC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2F)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H32FNO4/c1-2-27-30(36-21-24-14-8-4-9-15-24)31(37-22-25-16-10-5-11-17-25)29(38-27)26-18-19-28(34-32(26)33)35-20-23-12-6-3-7-13-23/h3-19,27,29-31H,2,20-22H2,1H3/t27-,29+,30+,31?/m1/s1
InChIKeyUKZUDOJNEYGJGQ-WZNMFJSQSA-N
XLogP6.82
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.61
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine with MolForge

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Related Compounds

(3S,5R)-5-ethyl-2-(2-fluoro-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 122543812
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
CID 122543823
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
2-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 123156862
2-(2-fluoro-3-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 23080574
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine?
The IUPAC name of 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine (CID 118149175) is 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine.
What is the SMILES notation for 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine?
The canonical SMILES for 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine is CC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2F)C(OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine?
The InChIKey is UKZUDOJNEYGJGQ-WZNMFJSQSA-N. The full InChI is InChI=1S/C32H32FNO4/c1-2-27-30(36-21-24-14-8-4-9-15-24)31(37-22-25-16-10-5-11-17-25)29(38-27)26-18-19-28(34-32(26)33)35-20-23-12-6-3-7-13-23/h3-19,27,29-31H,2,20-22H2,1H3/t27-,29+,30+,31?/m1/s1.
What are the key properties of 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine?
3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine has a molecular weight of 513.61 g/mol, XLogP of 6.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine is sourced from PubChem (CID 118149175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).