2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine

C13H10FNO — CID 86087508

IUPAC2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine
SMILESFc1ccc(C2(c3ccccn3)CO2)cc1
InChIInChI=1S/C13H10FNO/c14-11-6-4-10(5-7-11)13(9-16-13)12-3-1-2-8-15-12/h1-8H,9H2
InChIKeyATSWTLLWXJKUKH-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.49
Rot. Bonds2

About 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine

2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine (PubChem CID 86087508) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine
PubChem CID86087508
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine
SMILESFc1ccc(C2(c3ccccn3)CO2)cc1
InChIInChI=1S/C13H10FNO/c14-11-6-4-10(5-7-11)13(9-16-13)12-3-1-2-8-15-12/h1-8H,9H2
InChIKeyATSWTLLWXJKUKH-UHFFFAOYSA-N
XLogP2.49
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Doxylamine
CID 3162
2-Pyridinealdoxime O-benzyl ether
CID 9562669
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
Doxylamine alcohol
CID 86883
Phenyl(pyridin-2-yl)methanol
CID 315585
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145
2-(Oxiran-2-yl)pyridine
CID 9833950
N-Desmethyldoxylamine
CID 135338
(5-Phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 3241242
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 71541376

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine?
The IUPAC name of 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine (CID 86087508) is 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine is Fc1ccc(C2(c3ccccn3)CO2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine?
The InChIKey is ATSWTLLWXJKUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c14-11-6-4-10(5-7-11)13(9-16-13)12-3-1-2-8-15-12/h1-8H,9H2.
What are the key properties of 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine?
2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine has a molecular weight of 215.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)oxiran-2-yl]pyridine is sourced from PubChem (CID 86087508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).