methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate

C12H13N3O3 — CID 78995503

IUPACmethyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cccc(C#N)n2)CCO1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)10-8-15(5-6-18-10)11-4-2-3-9(7-13)14-11/h2-4,10H,5-6,8H2,1H3
InChIKeyZDFCVXFJMZGYQN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.33
Rot. Bonds2

About methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate

methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate (PubChem CID 78995503) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
PubChem CID78995503
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Namemethyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2cccc(C#N)n2)CCO1
InChIInChI=1S/C12H13N3O3/c1-17-12(16)10-8-15(5-6-18-10)11-4-2-3-9(7-13)14-11/h2-4,10H,5-6,8H2,1H3
InChIKeyZDFCVXFJMZGYQN-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate (CID 78995503) is methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate is COC(=O)C1CN(c2cccc(C#N)n2)CCO1.
What is the InChIKey of methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate?
The InChIKey is ZDFCVXFJMZGYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-12(16)10-8-15(5-6-18-10)11-4-2-3-9(7-13)14-11/h2-4,10H,5-6,8H2,1H3.
What are the key properties of methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate?
methyl 4-(6-cyano-2-pyridinyl)morpholine-2-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-(6-cyano-2-pyridinyl)morpholine-2-carboxylate is sourced from PubChem (CID 78995503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).