5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine

C13H11BrCl2N2O — CID 90205672

IUPAC5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
SMILESNc1ncc(Br)cc1OCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c14-9-6-12(13(17)18-7-9)19-4-3-8-5-10(15)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,17,18)
InChIKeyZZKJYOYXMNYBAA-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.35
Rot. Bonds4

About 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine

5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine (PubChem CID 90205672) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
PubChem CID90205672
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
SMILESNc1ncc(Br)cc1OCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c14-9-6-12(13(17)18-7-9)19-4-3-8-5-10(15)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,17,18)
InChIKeyZZKJYOYXMNYBAA-UHFFFAOYSA-N
XLogP4.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine (CID 90205672) is 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine is Nc1ncc(Br)cc1OCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is ZZKJYOYXMNYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c14-9-6-12(13(17)18-7-9)19-4-3-8-5-10(15)1-2-11(8)16/h1-2,5-7H,3-4H2,(H2,17,18).
What are the key properties of 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine?
5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 362.05 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 90205672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).