5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine

C14H13Br2ClN2O — CID 63485313

IUPAC5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2c(Br)cccc2Br)n1
InChIInChI=1S/C14H13Br2ClN2O/c1-2-18-13-7-6-11(17)12(19-13)8-20-14-9(15)4-3-5-10(14)16/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyTUNABEJPMAYBBI-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.27
Rot. Bonds5

About 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine

5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 63485313) has the molecular formula C14H13Br2ClN2O and a molecular weight of 420.53 g/mol. Its IUPAC name is 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID63485313
Molecular FormulaC14H13Br2ClN2O
Molecular Weight420.53 g/mol
Exact Mass417.91
IUPAC Name5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(COc2c(Br)cccc2Br)n1
InChIInChI=1S/C14H13Br2ClN2O/c1-2-18-13-7-6-11(17)12(19-13)8-20-14-9(15)4-3-5-10(14)16/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyTUNABEJPMAYBBI-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine (CID 63485313) is 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(COc2c(Br)cccc2Br)n1.
What is the InChIKey of 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is TUNABEJPMAYBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClN2O/c1-2-18-13-7-6-11(17)12(19-13)8-20-14-9(15)4-3-5-10(14)16/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine?
5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 420.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,6-dibromophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 63485313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).