1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol

C12H16FNO — CID 148927727

IUPAC1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cncc(F)c2)CCCCC1
InChIInChI=1S/C12H16FNO/c13-11-6-10(8-14-9-11)7-12(15)4-2-1-3-5-12/h6,8-9,15H,1-5,7H2
InChIKeyPLHXYCUMPIKJRG-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.46
Rot. Bonds2

About 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol

1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol (PubChem CID 148927727) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol
PubChem CID148927727
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2cncc(F)c2)CCCCC1
InChIInChI=1S/C12H16FNO/c13-11-6-10(8-14-9-11)7-12(15)4-2-1-3-5-12/h6,8-9,15H,1-5,7H2
InChIKeyPLHXYCUMPIKJRG-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol (CID 148927727) is 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol is OC1(Cc2cncc(F)c2)CCCCC1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol?
The InChIKey is PLHXYCUMPIKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-6-10(8-14-9-11)7-12(15)4-2-1-3-5-12/h6,8-9,15H,1-5,7H2.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol?
1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 148927727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).