ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate

C10H12Cl2N2O2 — CID 178141792

IUPACethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-2-16-9(15)6-13-5-7-3-4-8(11)14-10(7)12/h3-4,13H,2,5-6H2,1H3
InChIKeyQABZTDCKJGVNHL-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.04
Rot. Bonds5

About ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate

ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate (PubChem CID 178141792) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
PubChem CID178141792
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Nameethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
SMILESCCOC(=O)CNCc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-2-16-9(15)6-13-5-7-3-4-8(11)14-10(7)12/h3-4,13H,2,5-6H2,1H3
InChIKeyQABZTDCKJGVNHL-UHFFFAOYSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
ethyl 4-[(2,6-dichloro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 107260719
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
ethyl 2-[(4-amino-6-chloropyrimidin-5-yl)methylamino]acetate
CID 119084884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate (CID 178141792) is ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate is CCOC(=O)CNCc1ccc(Cl)nc1Cl.
What is the InChIKey of ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate?
The InChIKey is QABZTDCKJGVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-2-16-9(15)6-13-5-7-3-4-8(11)14-10(7)12/h3-4,13H,2,5-6H2,1H3.
What are the key properties of ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate?
ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate has a molecular weight of 263.12 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 178141792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).