(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

C10H11FN2 — CID 142422250

IUPAC(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccnc(N2C[C@H]3C[C@H]3C2)c1
InChIInChI=1S/C10H11FN2/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2/t7-,8+
InChIKeyWENJNKGBNRMYLY-OCAPTIKFSA-N
MW178.21 g/mol
LogP1.68
Rot. Bonds1

About (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142422250) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
PubChem CID142422250
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESFc1ccnc(N2C[C@H]3C[C@H]3C2)c1
InChIInChI=1S/C10H11FN2/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2/t7-,8+
InChIKeyWENJNKGBNRMYLY-OCAPTIKFSA-N
XLogP1.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (CID 142422250) is (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is Fc1ccnc(N2C[C@H]3C[C@H]3C2)c1.
What is the InChIKey of (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is WENJNKGBNRMYLY-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H11FN2/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2/t7-,8+.
What are the key properties of (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 178.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142422250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).