6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride

C11H13ClF2N2O — CID 166104225

IUPAC6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Fc1cnc(OCC2C3CNCC32)c(F)c1
InChIInChI=1S/C11H12F2N2O.ClH/c12-6-1-10(13)11(15-2-6)16-5-9-7-3-14-4-8(7)9;/h1-2,7-9,14H,3-5H2;1H
InChIKeyCGSNWBWZLUNVSX-UHFFFAOYSA-N
MW262.69 g/mol
LogP1.63
Rot. Bonds3

About 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride

6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 166104225) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID166104225
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Fc1cnc(OCC2C3CNCC32)c(F)c1
InChIInChI=1S/C11H12F2N2O.ClH/c12-6-1-10(13)11(15-2-6)16-5-9-7-3-14-4-8(7)9;/h1-2,7-9,14H,3-5H2;1H
InChIKeyCGSNWBWZLUNVSX-UHFFFAOYSA-N
XLogP1.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 166104225) is 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.Fc1cnc(OCC2C3CNCC32)c(F)c1.
What is the InChIKey of 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is CGSNWBWZLUNVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O.ClH/c12-6-1-10(13)11(15-2-6)16-5-9-7-3-14-4-8(7)9;/h1-2,7-9,14H,3-5H2;1H.
What are the key properties of 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 166104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).