methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate

C11H13ClN2O3 — CID 58229585

IUPACmethyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)8-6-9(12)13-10(7-8)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyQGCVZVAMOIEWCF-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate

methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 58229585) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate
PubChem CID58229585
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)8-6-9(12)13-10(7-8)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3
InChIKeyQGCVZVAMOIEWCF-UHFFFAOYSA-N
XLogP1.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-6-morpholin-4-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate (CID 58229585) is methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is QGCVZVAMOIEWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-16-11(15)8-6-9(12)13-10(7-8)14-2-4-17-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate?
methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 256.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 58229585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).