1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile

C17H23FN2O — CID 83110782

IUPAC1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(C(C)(O)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H23FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9H2,1-3H3
InChIKeyKWFIEZHIRZYHSR-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.78
Rot. Bonds3

About 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile

1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 83110782) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID83110782
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(C(C)(O)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H23FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9H2,1-3H3
InChIKeyKWFIEZHIRZYHSR-UHFFFAOYSA-N
XLogP3.78
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile (CID 83110782) is 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile is CC(C)C1CCC(C#N)(C(C)(O)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is KWFIEZHIRZYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9H2,1-3H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 290.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 83110782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).