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

C11H13ClN2O3 — CID 134159276

IUPACmethyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)10-8(12)2-3-9(13-10)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyDDAVTAONSCMRPC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.36
Rot. Bonds2

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

methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 134159276) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
PubChem CID134159276
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(N2CCOCC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)10-8(12)2-3-9(13-10)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyDDAVTAONSCMRPC-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

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Related Compounds

methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
4-(3-iodo-2H-pyrazolo[3,4-b]pyridin-6-yl)morpholine;methyl 6-morpholin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 162116947
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
methyl 3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 167829544
dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
CID 142386912
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 54975157

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate (CID 134159276) is methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate is COC(=O)c1nc(N2CCOCC2)ccc1Cl.
What is the InChIKey of methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is DDAVTAONSCMRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-16-11(15)10-8(12)2-3-9(13-10)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
methyl 3-chloro-6-morpholin-4-ylpyridine-2-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 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 134159276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).