2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile

C18H14F3N3O3 — CID 134343218

IUPAC2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(C(=O)N3CCC(O)C3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)15-6-11(9-22)7-16(23-15)27-14-3-1-2-12(8-14)17(26)24-5-4-13(25)10-24/h1-3,6-8,13,25H,4-5,10H2
InChIKeyGHYZWTDOIKLVIH-UHFFFAOYSA-N
MW377.32 g/mol
LogP2.97
Rot. Bonds3

About 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile

2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 134343218) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID134343218
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(C(=O)N3CCC(O)C3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)15-6-11(9-22)7-16(23-15)27-14-3-1-2-12(8-14)17(26)24-5-4-13(25)10-24/h1-3,6-8,13,25H,4-5,10H2
InChIKeyGHYZWTDOIKLVIH-UHFFFAOYSA-N
XLogP2.97
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carbonyl]phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 134343300
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 122516975
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-[[4-(methylamino)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 175217478
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-(3-fluoro-4-hydroxypyrrolidin-1-yl)methanone;hydrochloride
CID 122516938
2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122536350
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122517057
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
2-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenoxy]methyl]benzonitrile
CID 111561741
tert-butyl N-[2-[3-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]phenoxy]-6-(trifluoromethyl)-4-pyridinyl]-N-methylcarbamate
CID 175209469
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 122516915
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 134343218) is 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Oc2cccc(C(=O)N3CCC(O)C3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is GHYZWTDOIKLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)15-6-11(9-22)7-16(23-15)27-14-3-1-2-12(8-14)17(26)24-5-4-13(25)10-24/h1-3,6-8,13,25H,4-5,10H2.
What are the key properties of 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 377.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 134343218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).