methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate

C12H13N3O3 — CID 104774614

IUPACmethyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cccnc1C#N
InChIInChI=1S/C12H13N3O3/c1-17-12(16)11-8-18-6-5-15(11)10-3-2-4-14-9(10)7-13/h2-4,11H,5-6,8H2,1H3
InChIKeyHFNMIGQQYJSJFR-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.33
Rot. Bonds2

About methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate

methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate (PubChem CID 104774614) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
PubChem CID104774614
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1cccnc1C#N
InChIInChI=1S/C12H13N3O3/c1-17-12(16)11-8-18-6-5-15(11)10-3-2-4-14-9(10)7-13/h2-4,11H,5-6,8H2,1H3
InChIKeyHFNMIGQQYJSJFR-UHFFFAOYSA-N
XLogP0.33
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(2-carbamothioylphenyl)morpholine-3-carboxylate
CID 104774646
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
methyl 4-(4-cyano-3-fluorophenyl)morpholine-3-carboxylate
CID 104774602
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489
methyl 4-imidazo[1,2-a]pyridin-5-ylmorpholine-3-carboxylate
CID 102626858
methyl 4-(2-carbamothioyl-3-fluorophenyl)morpholine-3-carboxylate
CID 104774658
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate (CID 104774614) is methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1cccnc1C#N.
What is the InChIKey of methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate?
The InChIKey is HFNMIGQQYJSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-12(16)11-8-18-6-5-15(11)10-3-2-4-14-9(10)7-13/h2-4,11H,5-6,8H2,1H3.
What are the key properties of methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate?
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).