5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine

C12H8Br3ClN2O — CID 55192325

IUPAC5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C12H8Br3ClN2O/c13-6-3-7(14)12(8(15)4-6)19-5-10-9(16)1-2-11(17)18-10/h1-4H,5H2,(H2,17,18)
InChIKeyYBNVGVRFKXQIEM-UHFFFAOYSA-N
MW471.37 g/mol
LogP5.18
Rot. Bonds3

About 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine

5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine (PubChem CID 55192325) has the molecular formula C12H8Br3ClN2O and a molecular weight of 471.37 g/mol. Its IUPAC name is 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
PubChem CID55192325
Molecular FormulaC12H8Br3ClN2O
Molecular Weight471.37 g/mol
Exact Mass467.79
IUPAC Name5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C12H8Br3ClN2O/c13-6-3-7(14)12(8(15)4-6)19-5-10-9(16)1-2-11(17)18-10/h1-4H,5H2,(H2,17,18)
InChIKeyYBNVGVRFKXQIEM-UHFFFAOYSA-N
XLogP5.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine (CID 55192325) is 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2c(Br)cc(Br)cc2Br)n1.
What is the InChIKey of 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
The InChIKey is YBNVGVRFKXQIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3ClN2O/c13-6-3-7(14)12(8(15)4-6)19-5-10-9(16)1-2-11(17)18-10/h1-4H,5H2,(H2,17,18).
What are the key properties of 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine has a molecular weight of 471.37 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4,6-tribromophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55192325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).