1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H11Br2FN2O — CID 55058401

IUPAC1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11Br2FN2O/c1-17-6-8-4-9(14)7-18-13(8)19-12-3-2-10(16)5-11(12)15/h2-5,7,17H,6H2,1H3
InChIKeyXXXMYKXHMMBAPP-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.26
Rot. Bonds4

About 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 55058401) has the molecular formula C13H11Br2FN2O and a molecular weight of 390.05 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID55058401
Molecular FormulaC13H11Br2FN2O
Molecular Weight390.05 g/mol
Exact Mass387.92
IUPAC Name1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11Br2FN2O/c1-17-6-8-4-9(14)7-18-13(8)19-12-3-2-10(16)5-11(12)15/h2-5,7,17H,6H2,1H3
InChIKeyXXXMYKXHMMBAPP-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81325924
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322244
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 55058401) is 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is XXXMYKXHMMBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O/c1-17-6-8-4-9(14)7-18-13(8)19-12-3-2-10(16)5-11(12)15/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 390.05 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).