6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol

C11H12ClNO — CID 79332083

IUPAC6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2ccc(Cl)cn2)C2CCCC21
InChIInChI=1S/C11H12ClNO/c12-7-4-5-10(13-6-7)11(14)8-2-1-3-9(8)11/h4-6,8-9,14H,1-3H2
InChIKeyUWFRZUQZUBSMEN-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.35
Rot. Bonds1

About 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol

6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79332083) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79332083
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(c2ccc(Cl)cn2)C2CCCC21
InChIInChI=1S/C11H12ClNO/c12-7-4-5-10(13-6-7)11(14)8-2-1-3-9(8)11/h4-6,8-9,14H,1-3H2
InChIKeyUWFRZUQZUBSMEN-UHFFFAOYSA-N
XLogP2.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol (CID 79332083) is 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol is OC1(c2ccc(Cl)cn2)C2CCCC21.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is UWFRZUQZUBSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-7-4-5-10(13-6-7)11(14)8-2-1-3-9(8)11/h4-6,8-9,14H,1-3H2.
What are the key properties of 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol?
6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 209.68 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79332083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).