5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile

C17H13ClF3N3O — CID 133449777

IUPAC5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1
InChIInChI=1S/C17H13ClF3N3O/c18-14-7-11(8-22)9-23-16(14)24-5-6-25-15(10-24)12-1-3-13(4-2-12)17(19,20)21/h1-4,7,9,15H,5-6,10H2
InChIKeyHQJIRXXPJANKPH-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.20
Rot. Bonds2

About 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile

5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 133449777) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID133449777
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1
InChIInChI=1S/C17H13ClF3N3O/c18-14-7-11(8-22)9-23-16(14)24-5-6-25-15(10-24)12-1-3-13(4-2-12)17(19,20)21/h1-4,7,9,15H,5-6,10H2
InChIKeyHQJIRXXPJANKPH-UHFFFAOYSA-N
XLogP4.20
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726620
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
CID 133449937
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 139027073
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 100646745
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449791

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile (CID 133449777) is 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile is N#Cc1cnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is HQJIRXXPJANKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-14-7-11(8-22)9-23-16(14)24-5-6-25-15(10-24)12-1-3-13(4-2-12)17(19,20)21/h1-4,7,9,15H,5-6,10H2.
What are the key properties of 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile?
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 367.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133449777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).