(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone

C11H13FN2O2 — CID 79077902

IUPAC(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O2/c1-14-2-3-16-10(7-14)11(15)8-4-9(12)6-13-5-8/h4-6,10H,2-3,7H2,1H3
InChIKeyUSJHHRUIFCGSNZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.73
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone

(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 79077902) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
PubChem CID79077902
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O2/c1-14-2-3-16-10(7-14)11(15)8-4-9(12)6-13-5-8/h4-6,10H,2-3,7H2,1H3
InChIKeyUSJHHRUIFCGSNZ-UHFFFAOYSA-N
XLogP0.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone (CID 79077902) is (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone is CN1CCOC(C(=O)c2cncc(F)c2)C1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is USJHHRUIFCGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-14-2-3-16-10(7-14)11(15)8-4-9(12)6-13-5-8/h4-6,10H,2-3,7H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone?
(5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 224.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 79077902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).