4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile

C12H10F3N3O2 — CID 115616275

IUPAC4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-1-2-10(17-6-8)11(19)18-3-4-20-9(5-16)7-18/h1-2,6,9H,3-4,7H2
InChIKeyFDSJROGKGHRBDW-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.46
Rot. Bonds1

About 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile

4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile (PubChem CID 115616275) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
PubChem CID115616275
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-1-2-10(17-6-8)11(19)18-3-4-20-9(5-16)7-18/h1-2,6,9H,3-4,7H2
InChIKeyFDSJROGKGHRBDW-UHFFFAOYSA-N
XLogP1.46
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 104641747
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
CID 78945733
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737597
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737426
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile (CID 115616275) is 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCO1.
What is the InChIKey of 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile?
The InChIKey is FDSJROGKGHRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)8-1-2-10(17-6-8)11(19)18-3-4-20-9(5-16)7-18/h1-2,6,9H,3-4,7H2.
What are the key properties of 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile?
4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile has a molecular weight of 285.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 115616275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).