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

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 24654229
5-Chloro-6-[(3,4-difluorophenoxy)methyl]pyridin-2-amine
CID 55127125
5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 55127217
5-Chloro-6-[(3,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55127269
2-[(4-Bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine
CID 55127312
5-Chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine
CID 55127314
5-Chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 55127504
5-Chloro-6-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 55127694
[6-[(2-Bromo-4-fluorophenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 55127788
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 55127793
5-Chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55169086
5-chloro-6-[(3-fluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 62884945

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).