6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid

C12H13FN2O3 — CID 154957719

IUPAC6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid
SMILESC=C[C@@H]1CN(c2nc(C(=O)O)ccc2F)CCO1
InChIInChI=1S/C12H13FN2O3/c1-2-8-7-15(5-6-18-8)11-9(13)3-4-10(14-11)12(16)17/h2-4,8H,1,5-7H2,(H,16,17)/t8-/m1/s1
InChIKeyTYFXMLNOVHVFCP-MRVPVSSYSA-N
MW252.24 g/mol
LogP1.31
Rot. Bonds3

About 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid

6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 154957719) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid
PubChem CID154957719
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid
SMILESC=C[C@@H]1CN(c2nc(C(=O)O)ccc2F)CCO1
InChIInChI=1S/C12H13FN2O3/c1-2-8-7-15(5-6-18-8)11-9(13)3-4-10(14-11)12(16)17/h2-4,8H,1,5-7H2,(H,16,17)/t8-/m1/s1
InChIKeyTYFXMLNOVHVFCP-MRVPVSSYSA-N
XLogP1.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid (CID 154957719) is 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid is C=C[C@@H]1CN(c2nc(C(=O)O)ccc2F)CCO1.
What is the InChIKey of 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is TYFXMLNOVHVFCP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-2-8-7-15(5-6-18-8)11-9(13)3-4-10(14-11)12(16)17/h2-4,8H,1,5-7H2,(H,16,17)/t8-/m1/s1.
What are the key properties of 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid?
6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-ethenylmorpholin-4-yl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 154957719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).