2-[(5-Chloropyridin-2-yl)(methyl)amino]-2-oxoacetic acid methyl ester

HCID 59676802

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Basic information

CAS: 480452-06-0
Standard SMILES: COC(=O)C(=O)N(C)c1ccc(Cl)cn1
InChIKey: BVPPXBVYGPURDK-UHFFFAOYSA-N
Molecular formula: C9H9ClN2O3
Average molar mass: 228.63 g/mol
Monoisotopic mass: 228.0301698

Names & identifiers

Preferred name: 2-[(5-Chloropyridin-2-yl)(methyl)amino]-2-oxoacetic acid methyl ester
IUPAC: methyl 2-[(5-chloro-2-pyridinyl)-methylamino]-2-oxoacetate

Names & synonyms

SCHEMBL1504235BVPPXBVYGPURDK-UHFFFAOYSA-NDTXSID1011985262-[(5-chloropyridin-2-yl)(methyl)amino]-2-oxoacetic acid methyl ester480452-06-0Methyl [(5-chloropyridin-2-yl)(methyl)amino](oxo)acetateMethyl 2-[(5-chloro-2-pyridinyl)methylamino]-2-oxoacetate

Database identifiers

CAS: 480452-06-0
PubChem CID: 59676802
DTXSID: DTXSID101198526

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 59.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Related reactions

2 records

New reaction record

HRID 307462As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2104413As productuspto-grants-2009_08

Compound notes

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