ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate

C11H15ClN2O3 — CID 139502060

IUPACethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c(Cl)c(CNC)n1
InChIInChI=1S/C11H15ClN2O3/c1-4-17-11(15)7-5-9(16-3)10(12)8(14-7)6-13-2/h5,13H,4,6H2,1-3H3
InChIKeyLRDCAXSHZOOFIR-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.64
Rot. Bonds5

About ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate

ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate (PubChem CID 139502060) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate
PubChem CID139502060
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Nameethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c(Cl)c(CNC)n1
InChIInChI=1S/C11H15ClN2O3/c1-4-17-11(15)7-5-9(16-3)10(12)8(14-7)6-13-2/h5,13H,4,6H2,1-3H3
InChIKeyLRDCAXSHZOOFIR-UHFFFAOYSA-N
XLogP1.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-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

ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
CID 175211532
ethyl 6-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680363
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 7-chloro-6-methoxy-4-[(4-methylpiperazin-1-yl)methyl]quinoline-2-carboxylate
CID 70243742
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
ethyl 6-cyano-5-methoxypyridine-2-carboxylate
CID 133097463
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate (CID 139502060) is ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(OC)c(Cl)c(CNC)n1.
What is the InChIKey of ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate?
The InChIKey is LRDCAXSHZOOFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-4-17-11(15)7-5-9(16-3)10(12)8(14-7)6-13-2/h5,13H,4,6H2,1-3H3.
What are the key properties of ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate?
ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate has a molecular weight of 258.70 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-methoxy-6-(methylaminomethyl)pyridine-2-carboxylate is sourced from PubChem (CID 139502060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).