[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine

C12H10Br2N2O — CID 64719282

IUPAC[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,7,15H2
InChIKeyCQMFBHZCTYIUFA-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.86
Rot. Bonds3

About [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine

[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine (PubChem CID 64719282) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
PubChem CID64719282
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,7,15H2
InChIKeyCQMFBHZCTYIUFA-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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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine (CID 64719282) is [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine is NCc1cccc(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine?
The InChIKey is CQMFBHZCTYIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-8-4-5-11(10(14)6-8)17-12-3-1-2-9(7-15)16-12/h1-6H,7,15H2.
What are the key properties of [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine?
[6-(2,4-dibromophenoxy)-2-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 [6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 64719282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).