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

C12H10Br2N2O — CID 64719510

IUPAC[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyIFUDJPMHYMNJMW-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.86
Rot. Bonds3

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

[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine (PubChem CID 64719510) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
PubChem CID64719510
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyIFUDJPMHYMNJMW-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
3-(2,4-dibromophenoxy)pyridin-2-amine
CID 67485564
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine (CID 64719510) is [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine is NCc1cccnc1Oc1ccc(Br)cc1Br.
What is the InChIKey of [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
The InChIKey is IFUDJPMHYMNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2.
What are the key properties of [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine?
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine has a molecular weight of 358.03 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 64719510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).