4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline

C13H11BrF2N2O — CID 143481895

IUPAC4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline
SMILESCCNc1cc(F)c(Oc2ccc(Br)cn2)cc1F
InChIInChI=1S/C13H11BrF2N2O/c1-2-17-11-5-10(16)12(6-9(11)15)19-13-4-3-8(14)7-18-13/h3-7,17H,2H2,1H3
InChIKeyNLENJDYJLNIFAW-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.35
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline

4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline (PubChem CID 143481895) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline
PubChem CID143481895
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline
SMILESCCNc1cc(F)c(Oc2ccc(Br)cn2)cc1F
InChIInChI=1S/C13H11BrF2N2O/c1-2-17-11-5-10(16)12(6-9(11)15)19-13-4-3-8(14)7-18-13/h3-7,17H,2H2,1H3
InChIKeyNLENJDYJLNIFAW-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
CID 63463834
2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
CID 168963794
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate
CID 168964124
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline (CID 143481895) is 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline is CCNc1cc(F)c(Oc2ccc(Br)cn2)cc1F.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline?
The InChIKey is NLENJDYJLNIFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c1-2-17-11-5-10(16)12(6-9(11)15)19-13-4-3-8(14)7-18-13/h3-7,17H,2H2,1H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline?
4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline has a molecular weight of 329.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)oxy]-N-ethyl-2,5-difluoroaniline is sourced from PubChem (CID 143481895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).