5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine

C19H20FN3O4 — CID 118590347

IUPAC5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H20FN3O4/c20-13-3-5-18(27-15-7-9-26-12-15)16(10-13)17-2-1-8-22(17)14-4-6-19(21-11-14)23(24)25/h3-6,10-11,15,17H,1-2,7-9,12H2/t15-,17?/m1/s1
InChIKeyJFNRUIXBKZRHHS-LDCVWXEPSA-N
MW373.38 g/mol
LogP3.64
Rot. Bonds5

About 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine

5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine (PubChem CID 118590347) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine.

Molecular Properties

Compound Name5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine
PubChem CID118590347
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
InChIInChI=1S/C19H20FN3O4/c20-13-3-5-18(27-15-7-9-26-12-15)16(10-13)17-2-1-8-22(17)14-4-6-19(21-11-14)23(24)25/h3-6,10-11,15,17H,1-2,7-9,12H2/t15-,17?/m1/s1
InChIKeyJFNRUIXBKZRHHS-LDCVWXEPSA-N
XLogP3.64
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine?
The IUPAC name of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine (CID 118590347) is 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine.
What is the SMILES notation for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine?
The canonical SMILES for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine is O=[N+]([O-])c1ccc(N2CCCC2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.
What is the InChIKey of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine?
The InChIKey is JFNRUIXBKZRHHS-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-13-3-5-18(27-15-7-9-26-12-15)16(10-13)17-2-1-8-22(17)14-4-6-19(21-11-14)23(24)25/h3-6,10-11,15,17H,1-2,7-9,12H2/t15-,17?/m1/s1.
What are the key properties of 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine?
5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine has a molecular weight of 373.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine is sourced from PubChem (CID 118590347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).