[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol

C12H14F2N2O — CID 146371862

IUPAC[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1CO
InChIInChI=1S/C12H14F2N2O/c1-7-8(6-17)2-3-11(15-7)16-4-9-10(5-16)12(9,13)14/h2-3,9-10,17H,4-6H2,1H3
InChIKeyJCSDUNXZKGIOPU-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.58
Rot. Bonds2

About [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol

[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol (PubChem CID 146371862) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol
PubChem CID146371862
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1CO
InChIInChI=1S/C12H14F2N2O/c1-7-8(6-17)2-3-11(15-7)16-4-9-10(5-16)12(9,13)14/h2-3,9-10,17H,4-6H2,1H3
InChIKeyJCSDUNXZKGIOPU-UHFFFAOYSA-N
XLogP1.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol (CID 146371862) is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol is Cc1nc(N2CC3C(C2)C3(F)F)ccc1CO.
What is the InChIKey of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol?
The InChIKey is JCSDUNXZKGIOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-8(6-17)2-3-11(15-7)16-4-9-10(5-16)12(9,13)14/h2-3,9-10,17H,4-6H2,1H3.
What are the key properties of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol?
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol has a molecular weight of 240.25 g/mol, XLogP of 1.58, 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)-2-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 146371862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).