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

C13H11Br2FN2O — CID 81325924

IUPAC1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H11Br2FN2O/c1-17-6-8-2-10(15)7-18-13(8)19-12-4-9(14)3-11(16)5-12/h2-5,7,17H,6H2,1H3
InChIKeyBVFJQOODJSVKLR-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.26
Rot. Bonds4

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

1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81325924) has the molecular formula C13H11Br2FN2O and a molecular weight of 390.05 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID81325924
Molecular FormulaC13H11Br2FN2O
Molecular Weight390.05 g/mol
Exact Mass387.92
IUPAC Name1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H11Br2FN2O/c1-17-6-8-2-10(15)7-18-13(8)19-12-4-9(14)3-11(16)5-12/h2-5,7,17H,6H2,1H3
InChIKeyBVFJQOODJSVKLR-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

Analyze 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 81325924) is 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is BVFJQOODJSVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FN2O/c1-17-6-8-2-10(15)7-18-13(8)19-12-4-9(14)3-11(16)5-12/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-bromo-5-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-(3-bromo-5-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81325924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).