2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide

C9H11BrClN3O2 — CID 106239797

IUPAC2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ncc(Br)cc1Cl
InChIInChI=1S/C9H11BrClN3O2/c10-6-3-7(11)9(14-4-6)13-1-2-16-5-8(12)15/h3-4H,1-2,5H2,(H2,12,15)(H,13,14)
InChIKeyOVOXUHXDTOLBPL-UHFFFAOYSA-N
MW308.56 g/mol
LogP1.41
Rot. Bonds6

About 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide

2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide (PubChem CID 106239797) has the molecular formula C9H11BrClN3O2 and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
PubChem CID106239797
Molecular FormulaC9H11BrClN3O2
Molecular Weight308.56 g/mol
Exact Mass306.97
IUPAC Name2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ncc(Br)cc1Cl
InChIInChI=1S/C9H11BrClN3O2/c10-6-3-7(11)9(14-4-6)13-1-2-16-5-8(12)15/h3-4H,1-2,5H2,(H2,12,15)(H,13,14)
InChIKeyOVOXUHXDTOLBPL-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106236398
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582766
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
CID 106240109
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
1-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethyl]pyrrolidine-2,5-dione
CID 122147044
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide (CID 106239797) is 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide is NC(=O)COCCNc1ncc(Br)cc1Cl.
What is the InChIKey of 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide?
The InChIKey is OVOXUHXDTOLBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O2/c10-6-3-7(11)9(14-4-6)13-1-2-16-5-8(12)15/h3-4H,1-2,5H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide?
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide has a molecular weight of 308.56 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).