5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile

C15H8F5N3O2 — CID 145152991

IUPAC5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2cnc(C(F)(F)F)c3c2C(F)C(F)C3O)c1
InChIInChI=1S/C15H8F5N3O2/c16-11-9-8(25-7-1-6(2-21)3-22-4-7)5-23-14(15(18,19)20)10(9)13(24)12(11)17/h1,3-5,11-13,24H
InChIKeyZRXHLZIHQWCTTI-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.56
Rot. Bonds2

About 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile

5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile (PubChem CID 145152991) has the molecular formula C15H8F5N3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
PubChem CID145152991
Molecular FormulaC15H8F5N3O2
Molecular Weight357.24 g/mol
Exact Mass357.05
IUPAC Name5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2cnc(C(F)(F)F)c3c2C(F)C(F)C3O)c1
InChIInChI=1S/C15H8F5N3O2/c16-11-9-8(25-7-1-6(2-21)3-22-4-7)5-23-14(15(18,19)20)10(9)13(24)12(11)17/h1,3-5,11-13,24H
InChIKeyZRXHLZIHQWCTTI-UHFFFAOYSA-N
XLogP3.56
TPSA79.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile (CID 145152991) is 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile is N#Cc1cncc(Oc2cnc(C(F)(F)F)c3c2C(F)C(F)C3O)c1.
What is the InChIKey of 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is ZRXHLZIHQWCTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2/c16-11-9-8(25-7-1-6(2-21)3-22-4-7)5-23-14(15(18,19)20)10(9)13(24)12(11)17/h1,3-5,11-13,24H.
What are the key properties of 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile?
5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 357.24 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 145152991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).