(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone

C12H15FN2O2 — CID 61294351

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccnc(F)c2)CCO1
InChIInChI=1S/C12H15FN2O2/c1-12(2)8-15(5-6-17-12)11(16)9-3-4-14-10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZITWQFFJTYOLBU-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.47
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone

(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone (PubChem CID 61294351) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
PubChem CID61294351
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ccnc(F)c2)CCO1
InChIInChI=1S/C12H15FN2O2/c1-12(2)8-15(5-6-17-12)11(16)9-3-4-14-10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZITWQFFJTYOLBU-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115683387
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(2,2-dimethylmorpholin-4-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62170441
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
(3-chloro-4-nitrophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 82781380

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone (CID 61294351) is (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone is CC1(C)CN(C(=O)c2ccnc(F)c2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone?
The InChIKey is ZITWQFFJTYOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(2)8-15(5-6-17-12)11(16)9-3-4-14-10(13)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone has a molecular weight of 238.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 61294351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).