5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine

C14H8BrF4NO — CID 10666332

IUPAC5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1
InChIInChI=1S/C14H8BrF4NO/c15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17/h1-6H,7H2
InChIKeyFAUXJAGOYAFCKE-UHFFFAOYSA-N
MW362.12 g/mol
LogP4.14
Rot. Bonds3

About 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine

5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine (PubChem CID 10666332) has the molecular formula C14H8BrF4NO and a molecular weight of 362.12 g/mol. Its IUPAC name is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
PubChem CID10666332
Molecular FormulaC14H8BrF4NO
Molecular Weight362.12 g/mol
Exact Mass360.97
IUPAC Name5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1
InChIInChI=1S/C14H8BrF4NO/c15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17/h1-6H,7H2
InChIKeyFAUXJAGOYAFCKE-UHFFFAOYSA-N
XLogP4.14
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The IUPAC name of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine (CID 10666332) is 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine is Fc1ccc(C2(C(F)(F)c3ccc(Br)cn3)CO2)c(F)c1.
What is the InChIKey of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The InChIKey is FAUXJAGOYAFCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO/c15-8-1-4-12(20-6-8)14(18,19)13(7-21-13)10-3-2-9(16)5-11(10)17/h1-6H,7H2.
What are the key properties of 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine has a molecular weight of 362.12 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine is sourced from PubChem (CID 10666332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).