2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine

C15H13F2NO — CID 18956529

IUPAC2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine
SMILESCC(c1ccccn1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C15H13F2NO/c1-10(14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h2-8,10H,9H2,1H3
InChIKeyFAWMEPYLZANASQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.39
Rot. Bonds3

About 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine

2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine (PubChem CID 18956529) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine
PubChem CID18956529
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine
SMILESCC(c1ccccn1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C15H13F2NO/c1-10(14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h2-8,10H,9H2,1H3
InChIKeyFAWMEPYLZANASQ-UHFFFAOYSA-N
XLogP3.39
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.39
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

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alpha-Phenylpyridine-2-ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine?
The IUPAC name of 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine (CID 18956529) is 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine?
The canonical SMILES for 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine is CC(c1ccccn1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine?
The InChIKey is FAWMEPYLZANASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10(14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h2-8,10H,9H2,1H3.
What are the key properties of 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine?
2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine has a molecular weight of 261.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridine is sourced from PubChem (CID 18956529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).