6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine

C13H12Br2N2O2 — CID 79403480

IUPAC6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
SMILESCOc1cc(Br)c(OCc2cccc(N)n2)cc1Br
InChIInChI=1S/C13H12Br2N2O2/c1-18-11-5-10(15)12(6-9(11)14)19-7-8-3-2-4-13(16)17-8/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyLNWGOTUCYCUSPE-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.78
Rot. Bonds4

About 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine

6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine (PubChem CID 79403480) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
PubChem CID79403480
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
SMILESCOc1cc(Br)c(OCc2cccc(N)n2)cc1Br
InChIInChI=1S/C13H12Br2N2O2/c1-18-11-5-10(15)12(6-9(11)14)19-7-8-3-2-4-13(16)17-8/h2-6H,7H2,1H3,(H2,16,17)
InChIKeyLNWGOTUCYCUSPE-UHFFFAOYSA-N
XLogP3.78
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine (CID 79403480) is 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine is COc1cc(Br)c(OCc2cccc(N)n2)cc1Br.
What is the InChIKey of 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine?
The InChIKey is LNWGOTUCYCUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c1-18-11-5-10(15)12(6-9(11)14)19-7-8-3-2-4-13(16)17-8/h2-6H,7H2,1H3,(H2,16,17).
What are the key properties of 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine?
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine has a molecular weight of 388.06 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79403480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).