2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate

C9H9Cl3N2O3 — CID 54333779

IUPAC2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
SMILESNc1nc(OCCOC(=O)CCl)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O3/c10-4-7(15)16-1-2-17-9-6(12)3-5(11)8(13)14-9/h3H,1-2,4H2,(H2,13,14)
InChIKeyTTZZOJHSCDTYOZ-UHFFFAOYSA-N
MW299.54 g/mol
LogP2.13
Rot. Bonds5

About 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate

2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate (PubChem CID 54333779) has the molecular formula C9H9Cl3N2O3 and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
PubChem CID54333779
Molecular FormulaC9H9Cl3N2O3
Molecular Weight299.54 g/mol
Exact Mass297.97
IUPAC Name2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
SMILESNc1nc(OCCOC(=O)CCl)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2O3/c10-4-7(15)16-1-2-17-9-6(12)3-5(11)8(13)14-9/h3H,1-2,4H2,(H2,13,14)
InChIKeyTTZZOJHSCDTYOZ-UHFFFAOYSA-N
XLogP2.13
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enoxy-3,5-dichloropyridin-2-amine
CID 102760392
3,5-dichloro-6-pent-4-enoxypyridin-2-amine
CID 102761042
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
CID 102760880
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
methyl 2-[[6-amino-5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]acetate
CID 18923770
(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
CID 70188905
3,5-dichloro-6-(furan-2-ylmethoxy)pyridin-2-amine
CID 102760408
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
2-[(4-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl acetate
CID 21388672
3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
CID 102761071
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate?
The IUPAC name of 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate (CID 54333779) is 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate?
The canonical SMILES for 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate is Nc1nc(OCCOC(=O)CCl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate?
The InChIKey is TTZZOJHSCDTYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O3/c10-4-7(15)16-1-2-17-9-6(12)3-5(11)8(13)14-9/h3H,1-2,4H2,(H2,13,14).
What are the key properties of 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate?
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate has a molecular weight of 299.54 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate is sourced from PubChem (CID 54333779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).