[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine

C12H9Br3N2O — CID 64721342

IUPAC[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br3N2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyUTOGFSBVMWVJBY-UHFFFAOYSA-N
MW436.93 g/mol
LogP4.62
Rot. Bonds3

About [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine

[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine (PubChem CID 64721342) has the molecular formula C12H9Br3N2O and a molecular weight of 436.93 g/mol. Its IUPAC name is [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
PubChem CID64721342
Molecular FormulaC12H9Br3N2O
Molecular Weight436.93 g/mol
Exact Mass433.83
IUPAC Name[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cc(Br)cnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H9Br3N2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyUTOGFSBVMWVJBY-UHFFFAOYSA-N
XLogP4.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.93
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine (CID 64721342) is [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine is NCc1cc(Br)cnc1Oc1ccc(Br)cc1Br.
What is the InChIKey of [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The InChIKey is UTOGFSBVMWVJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2O/c13-8-1-2-11(10(15)4-8)18-12-7(5-16)3-9(14)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine has a molecular weight of 436.93 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 64721342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).