6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol

C12H14FNO — CID 115833955

IUPAC6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1C2CCCC21
InChIInChI=1S/C12H14FNO/c13-10-6-14-5-4-9(10)12(15)11-7-2-1-3-8(7)11/h4-8,11-12,15H,1-3H2
InChIKeyBVZLXLZXCVNUKX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.30
Rot. Bonds2

About 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol

6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol (PubChem CID 115833955) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
PubChem CID115833955
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1C2CCCC21
InChIInChI=1S/C12H14FNO/c13-10-6-14-5-4-9(10)12(15)11-7-2-1-3-8(7)11/h4-8,11-12,15H,1-3H2
InChIKeyBVZLXLZXCVNUKX-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol (CID 115833955) is 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol is OC(c1ccncc1F)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is BVZLXLZXCVNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-6-14-5-4-9(10)12(15)11-7-2-1-3-8(7)11/h4-8,11-12,15H,1-3H2.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol?
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 207.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 115833955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).