[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

C13H16F2N2O2 — CID 166390626

IUPAC[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(C(F)F)c2)CC(C)O1
InChIInChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)10-3-4-16-11(5-10)12(14)15/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyLOCKQROHBGMRDN-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.27
Rot. Bonds2

About [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 166390626) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID166390626
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccnc(C(F)F)c2)CC(C)O1
InChIInChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)10-3-4-16-11(5-10)12(14)15/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyLOCKQROHBGMRDN-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluoro-3-sulfanylphenyl)methanone
CID 107036472
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 166390626) is [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccnc(C(F)F)c2)CC(C)O1.
What is the InChIKey of [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is LOCKQROHBGMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)10-3-4-16-11(5-10)12(14)15/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 270.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-4-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 166390626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).