1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine

C13H18FNO3 — CID 165070456

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
SMILESC=C1C=CN([C@@H]2O[C@H](COC)[C@@H](OC)[C@H]2F)C=C1
InChIInChI=1S/C13H18FNO3/c1-9-4-6-15(7-5-9)13-11(14)12(17-3)10(18-13)8-16-2/h4-7,10-13H,1,8H2,2-3H3/t10-,11-,12-,13-/m1/s1
InChIKeySRAKDYMSRGAFHH-FDYHWXHSSA-N
MW255.29 g/mol
LogP1.61
Rot. Bonds4

About 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine

1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine (PubChem CID 165070456) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
PubChem CID165070456
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
SMILESC=C1C=CN([C@@H]2O[C@H](COC)[C@@H](OC)[C@H]2F)C=C1
InChIInChI=1S/C13H18FNO3/c1-9-4-6-15(7-5-9)13-11(14)12(17-3)10(18-13)8-16-2/h4-7,10-13H,1,8H2,2-3H3/t10-,11-,12-,13-/m1/s1
InChIKeySRAKDYMSRGAFHH-FDYHWXHSSA-N
XLogP1.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine (CID 165070456) is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine is C=C1C=CN([C@@H]2O[C@H](COC)[C@@H](OC)[C@H]2F)C=C1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine?
The InChIKey is SRAKDYMSRGAFHH-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-4-6-15(7-5-9)13-11(14)12(17-3)10(18-13)8-16-2/h4-7,10-13H,1,8H2,2-3H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine?
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine has a molecular weight of 255.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine is sourced from PubChem (CID 165070456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).