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

C9H10Cl2N2O2 — CID 60811106

IUPACethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-2-15-8(14)5-13-9-7(11)3-6(10)4-12-9/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyXNAVVEFZHVGGDT-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.36
Rot. Bonds4

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

ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate (PubChem CID 60811106) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
PubChem CID60811106
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Nameethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-2-15-8(14)5-13-9-7(11)3-6(10)4-12-9/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyXNAVVEFZHVGGDT-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
CID 102761686
ethyl 2-[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 9286880
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
ethyl 4-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171897131
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate (CID 60811106) is ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate is CCOC(=O)CNc1ncc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate?
The InChIKey is XNAVVEFZHVGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-2-15-8(14)5-13-9-7(11)3-6(10)4-12-9/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate?
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate has a molecular weight of 249.10 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 60811106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).