5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine

C13H12BrFN2O — CID 104536313

IUPAC5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-2-17-10-6-11(8-16-7-10)18-13-4-3-9(15)5-12(13)14/h3-8,17H,2H2,1H3
InChIKeyMLLGJPONNFGZAH-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.21
Rot. Bonds4

About 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine

5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine (PubChem CID 104536313) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
PubChem CID104536313
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
SMILESCCNc1cncc(Oc2ccc(F)cc2Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-2-17-10-6-11(8-16-7-10)18-13-4-3-9(15)5-12(13)14/h3-8,17H,2H2,1H3
InChIKeyMLLGJPONNFGZAH-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromophenoxy)-N-ethylpyridin-3-amine
CID 104536174
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808
5-(2-bromo-4-fluorophenoxy)pyridin-3-amine
CID 104536311
N-ethyl-5-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 113424390
N-ethyl-5-(2-iodophenoxy)pyridin-3-amine
CID 104536566
N-ethyl-5-(4-ethyl-2-methoxyphenoxy)pyridin-3-amine
CID 107669687
[2-[[5-(ethylamino)-3-pyridinyl]oxy]phenyl]methanol
CID 113424392
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609
N-ethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104536364
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
CID 104536170

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine (CID 104536313) is 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine is CCNc1cncc(Oc2ccc(F)cc2Br)c1.
What is the InChIKey of 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine?
The InChIKey is MLLGJPONNFGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-17-10-6-11(8-16-7-10)18-13-4-3-9(15)5-12(13)14/h3-8,17H,2H2,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine?
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine has a molecular weight of 311.15 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine is sourced from PubChem (CID 104536313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).