3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C15H19FN2O3 — CID 70654742

IUPAC3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC(F)c1ccnc(OC2CC3CCC(C2)N3C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9(16)10-4-5-17-14(6-10)21-13-7-11-2-3-12(8-13)18(11)15(19)20/h4-6,9,11-13H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyOMONQTZDJAOZJD-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.16
Rot. Bonds3

About 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid

3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 70654742) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID70654742
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESCC(F)c1ccnc(OC2CC3CCC(C2)N3C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9(16)10-4-5-17-14(6-10)21-13-7-11-2-3-12(8-13)18(11)15(19)20/h4-6,9,11-13H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyOMONQTZDJAOZJD-UHFFFAOYSA-N
XLogP3.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid with MolForge

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Related Compounds

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
3-[(3-ethyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70654436
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601
3-(2-fluoro-4-nitrophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141181782
3-[3-(difluoromethoxy)-4-fluorophenoxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70654668
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
3-(3-acetyl-2-methylphenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70654713

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 70654742) is 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is CC(F)c1ccnc(OC2CC3CCC(C2)N3C(=O)O)c1.
What is the InChIKey of 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is OMONQTZDJAOZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(16)10-4-5-17-14(6-10)21-13-7-11-2-3-12(8-13)18(11)15(19)20/h4-6,9,11-13H,2-3,7-8H2,1H3,(H,19,20).
What are the key properties of 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-fluoroethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 70654742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).