2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine

C11H14FN3O3 — CID 58377127

IUPAC2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCN(CCF)C2)nc1
InChIInChI=1S/C11H14FN3O3/c12-4-6-14-5-3-10(8-14)18-11-2-1-9(7-13-11)15(16)17/h1-2,7,10H,3-6,8H2/t10-/m1/s1
InChIKeyLEVSBYAMHOSASQ-SNVBAGLBSA-N
MW255.25 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine

2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine (PubChem CID 58377127) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine.

Molecular Properties

Compound Name2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine
PubChem CID58377127
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCN(CCF)C2)nc1
InChIInChI=1S/C11H14FN3O3/c12-4-6-14-5-3-10(8-14)18-11-2-1-9(7-13-11)15(16)17/h1-2,7,10H,3-6,8H2/t10-/m1/s1
InChIKeyLEVSBYAMHOSASQ-SNVBAGLBSA-N
XLogP1.41
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine?
The IUPAC name of 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine (CID 58377127) is 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine.
What is the SMILES notation for 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine?
The canonical SMILES for 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine is O=[N+]([O-])c1ccc(O[C@@H]2CCN(CCF)C2)nc1.
What is the InChIKey of 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine?
The InChIKey is LEVSBYAMHOSASQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-4-6-14-5-3-10(8-14)18-11-2-1-9(7-13-11)15(16)17/h1-2,7,10H,3-6,8H2/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine?
2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine has a molecular weight of 255.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]oxy-5-nitropyridine is sourced from PubChem (CID 58377127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).