methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate

C11H13ClN2O3 — CID 126482576

IUPACmethyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)8-2-3-9(12)13-10(8)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyDQNSCJLLDHCWAF-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.36
Rot. Bonds2

About methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate

methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 126482576) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate
PubChem CID126482576
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)8-2-3-9(12)13-10(8)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyDQNSCJLLDHCWAF-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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate (CID 126482576) is methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate is COC(=O)c1ccc(Cl)nc1N1CCOCC1.
What is the InChIKey of methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is DQNSCJLLDHCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-16-11(15)8-2-3-9(12)13-10(8)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of methyl 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate?
methyl 6-chloro-2-morpholin-4-ylpyridine-3-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 6-chloro-2-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 126482576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).