methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate

C9H9ClN2O3 — CID 176894230

IUPACmethyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(CC(N)=O)c1
InChIInChI=1S/C9H9ClN2O3/c1-15-9(14)5-2-6(4-8(11)13)12-7(10)3-5/h2-3H,4H2,1H3,(H2,11,13)
InChIKeyFFPXCFZHACLAKU-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate

methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate (PubChem CID 176894230) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
PubChem CID176894230
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Namemethyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(CC(N)=O)c1
InChIInChI=1S/C9H9ClN2O3/c1-15-9(14)5-2-6(4-8(11)13)12-7(10)3-5/h2-3H,4H2,1H3,(H2,11,13)
InChIKeyFFPXCFZHACLAKU-UHFFFAOYSA-N
XLogP0.55
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-butyl-6-chloropyridine-4-carboxylate
CID 174747407
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2,6-bis(bromomethyl)pyridine-4-carboxylate
CID 23545489
2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate
CID 71347471
2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine
CID 91551391
dimethyl 5-(chloromethyl)benzene-1,3-dicarboxylate
CID 45108192
methyl 4-(2-amino-2-oxoethyl)-3-hydroxybenzoate
CID 69030416
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate (CID 176894230) is methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(CC(N)=O)c1.
What is the InChIKey of methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate?
The InChIKey is FFPXCFZHACLAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-15-9(14)5-2-6(4-8(11)13)12-7(10)3-5/h2-3H,4H2,1H3,(H2,11,13).
What are the key properties of methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate?
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate has a molecular weight of 228.63 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate is sourced from PubChem (CID 176894230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).