5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile

C15H7F3N2O2 — CID 141436611

IUPAC5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2cccc3c2[C@@H](F)C(F)(F)C3=O)c1
InChIInChI=1S/C15H7F3N2O2/c16-13-12-10(14(21)15(13,17)18)2-1-3-11(12)22-9-4-8(5-19)6-20-7-9/h1-4,6-7,13H/t13-/m1/s1
InChIKeyGCFMXOHAYRVENS-CYBMUJFWSA-N
MW304.23 g/mol
LogP3.59
Rot. Bonds2

About 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile

5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile (PubChem CID 141436611) has the molecular formula C15H7F3N2O2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile
PubChem CID141436611
Molecular FormulaC15H7F3N2O2
Molecular Weight304.23 g/mol
Exact Mass304.05
IUPAC Name5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2cccc3c2[C@@H](F)C(F)(F)C3=O)c1
InChIInChI=1S/C15H7F3N2O2/c16-13-12-10(14(21)15(13,17)18)2-1-3-11(12)22-9-4-8(5-19)6-20-7-9/h1-4,6-7,13H/t13-/m1/s1
InChIKeyGCFMXOHAYRVENS-CYBMUJFWSA-N
XLogP3.59
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-4-methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydroinden-1-one
CID 10332392
4-Methoxy-2-(pyridin-4-ylmethylene)-2,3-dihydroinden-1-one
CID 10264163
(2E)-4-ethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one;hydrochloride
CID 145962451
(2E)-4-propan-2-yloxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one;hydrochloride
CID 145963044
(E)-3-(dimethylamino)-2-[5-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonyl]prop-2-enenitrile
CID 5907695
4-[5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridin-2-yl]oxy-2,3-dihydroinden-1-one
CID 18673891
3-Oxo-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanenitrile
CID 20072411
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}indan-1-one
CID 23157487
4-[[5-[2-[4-(Trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]oxy]-2,3-dihydroinden-1-one
CID 54145940
3-(Dimethylamino)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]prop-2-enenitrile
CID 54260602
4-[5-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridin-2-yl]oxy-2,3-dihydroinden-1-one
CID 69694006
5-(2-Fluoro-4-formylphenoxy)nicotinonitrile
CID 84819783

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile (CID 141436611) is 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile is N#Cc1cncc(Oc2cccc3c2[C@@H](F)C(F)(F)C3=O)c1.
What is the InChIKey of 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is GCFMXOHAYRVENS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H7F3N2O2/c16-13-12-10(14(21)15(13,17)18)2-1-3-11(12)22-9-4-8(5-19)6-20-7-9/h1-4,6-7,13H/t13-/m1/s1.
What are the key properties of 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile?
5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 304.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-2,2,3-trifluoro-1-oxo-3H-inden-4-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 141436611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).