[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol

C12H15NO2 — CID 146557427

IUPAC[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol
SMILESOCc1cc(OC2CC3C[C@H]3C2)ccn1
InChIInChI=1S/C12H15NO2/c14-7-10-6-11(1-2-13-10)15-12-4-8-3-9(8)5-12/h1-2,6,8-9,12,14H,3-5,7H2/t8-,9?,12?/m0/s1
InChIKeyYYRJYMADRPFFAP-QTZUAFFRSA-N
MW205.26 g/mol
LogP1.75
Rot. Bonds3

About [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol

[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol (PubChem CID 146557427) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol
PubChem CID146557427
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol
SMILESOCc1cc(OC2CC3C[C@H]3C2)ccn1
InChIInChI=1S/C12H15NO2/c14-7-10-6-11(1-2-13-10)15-12-4-8-3-9(8)5-12/h1-2,6,8-9,12,14H,3-5,7H2/t8-,9?,12?/m0/s1
InChIKeyYYRJYMADRPFFAP-QTZUAFFRSA-N
XLogP1.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol?
The IUPAC name of [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol (CID 146557427) is [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol?
The canonical SMILES for [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol is OCc1cc(OC2CC3C[C@H]3C2)ccn1.
What is the InChIKey of [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol?
The InChIKey is YYRJYMADRPFFAP-QTZUAFFRSA-N. The full InChI is InChI=1S/C12H15NO2/c14-7-10-6-11(1-2-13-10)15-12-4-8-3-9(8)5-12/h1-2,6,8-9,12,14H,3-5,7H2/t8-,9?,12?/m0/s1.
What are the key properties of [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol?
[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol has a molecular weight of 205.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-pyridinyl]methanol is sourced from PubChem (CID 146557427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).