5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine

C14H6BrF4NO — CID 141469309

IUPAC5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2=C(C(F)(F)c3ccc(Br)cn3)O2)c(F)c1
InChIInChI=1S/C14H6BrF4NO/c15-7-1-4-11(20-6-7)14(18,19)13-12(21-13)9-3-2-8(16)5-10(9)17/h1-6H
InChIKeyPUVNXQZCRAJLBJ-UHFFFAOYSA-N
MW360.10 g/mol
LogP4.61
Rot. Bonds3

About 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine

5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine (PubChem CID 141469309) has the molecular formula C14H6BrF4NO and a molecular weight of 360.10 g/mol. Its IUPAC name is 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine
PubChem CID141469309
Molecular FormulaC14H6BrF4NO
Molecular Weight360.10 g/mol
Exact Mass358.96
IUPAC Name5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2=C(C(F)(F)c3ccc(Br)cn3)O2)c(F)c1
InChIInChI=1S/C14H6BrF4NO/c15-7-1-4-11(20-6-7)14(18,19)13-12(21-13)9-3-2-8(16)5-10(9)17/h1-6H
InChIKeyPUVNXQZCRAJLBJ-UHFFFAOYSA-N
XLogP4.61
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
CID 144927491
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 162192469
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
CID 121384487
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-4-yl)propan-2-ol;methane;hydrofluoride
CID 158635211
potassium;5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]ethynyl-trimethylsilane;hydride;methane
CID 160945293
3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
CID 158245659
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3-(2,3-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
CID 126716684
N,N'-diamino-N-[3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]methanimidamide
CID 137426978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine?
The IUPAC name of 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine (CID 141469309) is 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine?
The canonical SMILES for 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine is Fc1ccc(C2=C(C(F)(F)c3ccc(Br)cn3)O2)c(F)c1.
What is the InChIKey of 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine?
The InChIKey is PUVNXQZCRAJLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF4NO/c15-7-1-4-11(20-6-7)14(18,19)13-12(21-13)9-3-2-8(16)5-10(9)17/h1-6H.
What are the key properties of 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine?
5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine has a molecular weight of 360.10 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine is sourced from PubChem (CID 141469309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).