2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H10F3N3O — CID 10244167

IUPAC2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyMUMVLEMLHNIBNJ-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.81
Rot. Bonds1

About 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10244167) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10244167
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-18-6-4-17/h1-2H,3-6H2
InChIKeyMUMVLEMLHNIBNJ-UHFFFAOYSA-N
XLogP1.81
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58873364
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133381233
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873588
2-(3,4-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79035367
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115305660
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133453307
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133354102
2-(2,6-dimethylthiomorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034216

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 10244167) is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MUMVLEMLHNIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)9-2-1-8(7-15)10(16-9)17-3-5-18-6-4-17/h1-2H,3-6H2.
What are the key properties of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 257.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10244167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).