5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile

C17H14F3N3O — CID 124885301

IUPAC5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)15-4-2-1-3-14(15)16-11-23(7-8-24-16)13-6-5-12(9-21)22-10-13/h1-6,10,16H,7-8,11H2/t16-/m1/s1
InChIKeyKYWBYJVHMJKRDA-MRXNPFEDSA-N
MW333.31 g/mol
LogP3.55
Rot. Bonds2

About 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile

5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile (PubChem CID 124885301) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile
PubChem CID124885301
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)15-4-2-1-3-14(15)16-11-23(7-8-24-16)13-6-5-12(9-21)22-10-13/h1-6,10,16H,7-8,11H2/t16-/m1/s1
InChIKeyKYWBYJVHMJKRDA-MRXNPFEDSA-N
XLogP3.55
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(+)-5-Hydroxy-3-piperidin-1-yl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10313748
6-[(1-Methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 24801459
2-Hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10403662
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10789674
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-pyridin-3-yl-allyl)-piperazine
CID 10811697
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 44358456
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 71541376
N-[(5-fluoro-2-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325601
4-[(2S)-morpholin-2-yl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]aniline
CID 68325788
US9840501, Example 19
CID 118484359
US9840501, Example 25
CID 118484366

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile (CID 124885301) is 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cn1.
What is the InChIKey of 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile?
The InChIKey is KYWBYJVHMJKRDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)15-4-2-1-3-14(15)16-11-23(7-8-24-16)13-6-5-12(9-21)22-10-13/h1-6,10,16H,7-8,11H2/t16-/m1/s1.
What are the key properties of 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile?
5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile has a molecular weight of 333.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 124885301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).