[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol

C11H12F2N2O — CID 156826031

IUPAC[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C11H12F2N2O/c12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-3,8-9,16H,4-6H2
InChIKeyQDLHUQOILJLVAL-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.28
Rot. Bonds2

About [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol

[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol (PubChem CID 156826031) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
PubChem CID156826031
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C11H12F2N2O/c12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-3,8-9,16H,4-6H2
InChIKeyQDLHUQOILJLVAL-UHFFFAOYSA-N
XLogP1.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115560518
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 156826184
[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156825854
CID 140811107
CID 140811107
methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 129078741
6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
CID 175933768
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methanol
CID 140932759
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
6-[6-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]pyridin-2-amine
CID 146223344

Frequently Asked Questions

What is the IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol (CID 156826031) is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol is OCc1ccc(N2CC3C(C2)C3(F)F)nc1.
What is the InChIKey of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
The InChIKey is QDLHUQOILJLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-3,8-9,16H,4-6H2.
What are the key properties of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol?
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol has a molecular weight of 226.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 156826031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).