3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol

C13H16FNO — CID 65177093

IUPAC3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cncc(F)c2)=CC(O)C1
InChIInChI=1S/C13H16FNO/c1-13(2)5-9(4-12(16)6-13)10-3-11(14)8-15-7-10/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyAVOLGGQHXJJDCW-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.79
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol

3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65177093) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65177093
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2cncc(F)c2)=CC(O)C1
InChIInChI=1S/C13H16FNO/c1-13(2)5-9(4-12(16)6-13)10-3-11(14)8-15-7-10/h3-4,7-8,12,16H,5-6H2,1-2H3
InChIKeyAVOLGGQHXJJDCW-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 234839
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2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol
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13-(1-Butylpyridin-1-ium-3-yl)tridecan-1-ol iodide
CID 70694115
(2-Methylphenyl)(4-pyridinyl)methanol
CID 4385350
(E)-7-phenyl-7-(3-pyridyl)-6-hepten-1-ol
CID 13417327
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
1-(Pyridin-3-yl)propan-2-ol
CID 62553063
1-Phenyl-3-(pyridin-4-yl)propan-1-ol
CID 24892692
13-Pyridin-3-yltridecan-1-ol
CID 11747857
13-(1-Methylpyridin-1-ium-3-yl)tridecan-1-ol iodide
CID 70696239

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65177093) is 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(c2cncc(F)c2)=CC(O)C1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is AVOLGGQHXJJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2)5-9(4-12(16)6-13)10-3-11(14)8-15-7-10/h3-4,7-8,12,16H,5-6H2,1-2H3.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 221.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65177093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).