2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate

C9H10Cl2N2O3 — CID 21388672

IUPAC2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-5(14)15-2-3-16-9-7(11)8(12)6(10)4-13-9/h4H,2-3H2,1H3,(H2,12,13)
InChIKeyIYLSJWDQAVPHFP-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.91
Rot. Bonds4

About 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate

2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate (PubChem CID 21388672) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate
PubChem CID21388672
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1ncc(Cl)c(N)c1Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-5(14)15-2-3-16-9-7(11)8(12)6(10)4-13-9/h4H,2-3H2,1H3,(H2,12,13)
InChIKeyIYLSJWDQAVPHFP-UHFFFAOYSA-N
XLogP1.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate?
The IUPAC name of 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate (CID 21388672) is 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate?
The canonical SMILES for 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate is CC(=O)OCCOc1ncc(Cl)c(N)c1Cl.
What is the InChIKey of 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate?
The InChIKey is IYLSJWDQAVPHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-5(14)15-2-3-16-9-7(11)8(12)6(10)4-13-9/h4H,2-3H2,1H3,(H2,12,13).
What are the key properties of 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate?
2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate has a molecular weight of 265.10 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate is sourced from PubChem (CID 21388672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).